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1
Theoretical design of new very potent free radical scavengers
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Theoretical design of organo-magnetic conducting crystal
3
Theoretical design of pyrazine-based high energy materials
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Theoretical design of singlet localized σ-diradicals: C(MH2)3C (M = Si, Ge, Sn, Pb)
5
Theoretical design of sulfinate-based ferroelectric liquid crystals displaying second-order nonlinear optical properties
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Theoretical design of visible light driven azobenzene-based photo-switching molecules
7
Theoretical design parameters for a quasi-zero stiffness magnetic spring for vibration isolation
8
Theoretical Designs for Planar Tetracoordinated Carbon in Cu, Ag, and Au Organometallic Chemistry: A New Target for Synthesis
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Theoretical designs for triplet ground-state carbenes: A target for experimental studies
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Theoretical determination of accurate rate constants: Application to the decomposition of a single-molecule precursor
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Theoretical determination of all the effective parameters in the BETS related crystals by HF and DFT methods
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THEORETICAL DETERMINATION OF ANISOTROPIC EFFECTIVE THERMAL CONDUCTIVITY IN TRANSFORMER WINDINGS
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Theoretical determination of electronic lifetimes in metals
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Theoretical determination of first adsorbed layer of water in methylcellulose Original Research Article
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Theoretical determination of floc size in highly-concentrated zirconia–wax suspensions Original Research Article
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Theoretical determination of the ablation rate of metals in multiple-nanosecond laser pulses irradiation regime
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Theoretical determination of the critical conditions for the direct initiation of detonations in hydrogen-oxygen mixtures
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Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex
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Theoretical determination of the pKas of the 8-hydroxyquinoline-5-sulfonic acid: A DFT based approach
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Theoretical determination of the solvation free energy in water and chloroform of the nucleic acid bases Original Research Article
21
Theoretical determination of the spin-rovibronic spectrum of the Ã2Π←X̃2Σ+ electronic transition of MgNC
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Theoretical determination of the surface excitation parameter for Ti, Fe, Cu, Pd, Ag, and Au
23
Theoretical determination of the vibrational absorption and Raman spectra of 3-methylindole and 3-methylindole radicals Original Research Article
24
Theoretical determination of two critical sizes for strain relaxation during Co/Pt(111) heteroepitaxy
25
Theoretical determination of δ in 18+δ organometallic complexes
26
Theoretical determinations of ionization potentials of 2-amino-1-phenylethanol
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Theoretical development and analytical solutions for transport of volatile organic compounds in dual-porosity soils
28
Theoretical development and experimental validation of a thermally dissipative cohesive zone model for dynamic fracture of amorphous polymers
29
Theoretical development of a simplified wheelset model to evaluate collision-induced derailments of rolling stock
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Theoretical development of a thermal model for the reheater of a power plant boiler
31
Theoretical development of pressure-induced electrical potential: Consideration of the concentration polarization for membranes with narrow pores
32
Theoretical development of the method of caustics for intersonically propagating interfacial crack
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Theoretical developments in the complex variable boundary element method
34
Theoretical developments in weak hypernuclear decay
35
Theoretical DFT studies of chromium tricarbonyl complexes with polycyclic aromatic ligands
36
Theoretical DFT study of homonuclear and binary transition-metal dimers
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Theoretical DFT study on glucose-6-phosphate
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Theoretical DFT, vibrational and NMR studies of benzimidazole and alkyl derivatives
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Theoretical DFT, vibrational and structural characterization of 1-propenyl-2-methylbenzimidazole and its isomers
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Theoretical discussions on the geometrical phase analysis
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Theoretical discussions on the geometrical phase analysis
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Theoretical distribution of O+ ions in the martian magnetosphere Original Research Article
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Theoretical diversity and clinical collaboration: reflections by a dance/movement therapist
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Theoretical ecology and mathematical modelling: Problems and methods
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Theoretical ecology and mathematical modelling: Problems and methods
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Theoretical effect of an axial electric field upon the resolution of classic differential mobility analyzers
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Theoretical effects of mechanical grain-size reduction on GEM domain states in pyrrhotite
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Theoretical effects of mechanical grain-size reduction on GEM domain states in pyrrhotite
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Theoretical efficiencies of angular-selective non-concentrating solar thermal systems
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Theoretical efficiency of 3rd generation solar cells: Comparison between carrier multiplication and down-conversion
51
Theoretical elastic stiffness and thermodynamic properties of zirconium dodecaboride from first principles calculation
52
Theoretical elastic stiffness, structural stability and thermal conductivity of La2T2O7 (T = Ge, Ti, Sn, Zr, Hf) pyrochlore Original Research Article
53
Theoretical elastic stiffness, structure stability and thermal conductivity of La2Zr2O7 pyrochlore Original Research Article
54
Theoretical Elastic-Plastic Solution for Laterally Loaded Piles
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Theoretical Elastio-Plastic Solution for Piles Subject to Lateral Soil Movement
56
Theoretical Electrochemical Study and Calculation of Free Energies of Electron Transfer in B-Cyclodextrins/Fullerenes C60 Nanostructure Complexes
57
Theoretical Electron Mobility Analysis in Thin-Body FETs: Dependence on Substrate Orientation and Biaxial Strain
58
Theoretical electronic and vibrational study of AlCO and Al(CO)2 using density functional theory
59
Theoretical ELNES fingerprints of BC2N polytypes
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Theoretical elucidation of the antioxidant mechanism of 1,3-dihydro-1-methyl-2H-imidazole-2-selenol (MSeI)
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Theoretical elucidation of the selectivity changes for the hydrogenation of unsaturated aldehydes on Pt(1 1 1)
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Theoretical elucidation on structure–Antioxidant activity relationships for indolinonic hydroxylamines
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Theoretical elucidation on the empirical formulae for the ultrasonic testing method for concrete structures
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Theoretical elucidation on the on-site measurements of corrosion rate of reinforcements
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Theoretical emission spectra of HNC() on a new ab initio potential energy surface
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Theoretical End Depth Ratio and End Depth Discharge Relationship for Free Overfall with Different End Lip Shape
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THEORETICAL END-DEPTH-DISCHARGE RELATIONSHIP FOR FREE OVERFALL
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THEORETICAL END-DEPTH-DISCHARGE RELATIONSHIP FOR FREE OVERFALL
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Theoretical energy level spectra and transition data for 4p64d, 4p64f and 4p54d2 configurations of W37+ ion
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Theoretical energy level spectra and transition data for 4p64d2, 4p64d4f, and 4p54d3 configurations of W36+
71
Theoretical enhancement of solar cell efficiency by the application of an ideal ‘down-shifting’ thin film
72
Theoretical enthalpies of formation and C–H bond dissociation enthalpies of n-bromopropane and its free radicals
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Theoretical enthalpies of formation and O–H bond dissociation enthalpy of an α-tocopherol model and its free radical
74
Theoretical enthalpies of formation of ROX (R=H, CH3; X=F, Cl, Br) compounds
75
Theoretical enthalpy of formation of the acetonyl radical
76
Theoretical enthalpy of formation of the CH2CH2OH radical
77
Theoretical entropy assessment of fingerprint-based Wi-Fi localization accuracy
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Theoretical error bounds on the convergence of the Lanczos and block-Lanczos methods
79
THEORETICAL ESTABLISHMENT AND EVALUATION OF A NOVEL OPTIMAL PYRAMIDAL HORN DESIGN CRITERION
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Theoretical estimates for the correlation energy of the unprojected composite fermion wave function
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Theoretical estimates of air bubble behavior in dense pipeline slurry flows
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Theoretical estimates of equilibrium chromium-isotope fractionations
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Theoretical estimates of the rotational g-factor, magnetizability and electric dipole moment of GaH
84
Theoretical estimates of the solid angle subtended by a dual diaphragm–detector assembly for alpha sources
85
Theoretical estimation and experimental design of high-intensity far-infrared to MM-wave coherent synchrotron radiation generated by short electron bunches at BFEL
86
Theoretical estimation and experimental design of high-intensity far-infrared to MM-wave coherent synchrotron radiation generated by short electron bunches at BFEL
87
Theoretical estimation for correlations of diffraction patterns from objects differently oriented in space
88
Theoretical estimation for correlations of diffraction patterns from objects differently oriented in space
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Theoretical estimation for the volume fraction of interfacial layers around convex particles in multiphase materials
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Theoretical estimation of absorbed dose to organs in radioimmunotherapy using radionuclides with multiple unstable daughters
91
Theoretical estimation of adiabatic temperature rise from the heat flow data obtained from a reaction calorimeter
92
Theoretical estimation of free and entrapped nonwetting–wetting fluid interfacial areas in porous media
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Theoretical Estimation of Machined Surface Profile Based on Cutting Edge Movement and Tool Orientation in Ball-nosed End Milling
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Theoretical estimation of metabolic network robustness against multiple reaction knockouts using branching process approximation
95
Theoretical estimation of ordered metal species in zeolite pores
96
Theoretical estimation of shell-side mass transfer coefficient in randomly packed hollow fiber modules with polydisperse hollow fiber outer radii
97
Theoretical estimation of the electron–molecular vibration coupling in several organic donor molecules
98
Theoretical estimation of the isobaric heat capacity cp of refrigerant
99
Theoretical estimation of the temperature and pressure within collapsing acoustical bubbles
100
Theoretical estimation of the temperature and pressure within collapsing acoustical bubbles
101
Theoretical estimation of the vibrational perturbation of the molecular properties of hydrogen adsorbed within a zeolite A framework
102
Theoretical estimation of thermodynamic properties of the system PS/PPO on the basis of modified combining rule of Sanchez–Lacombe lattice fluid model
103
Theoretical estimations of third order optical nonlinearities for one dimensional metal chains
104
Theoretical Evaluation of 5, 6-Diaroylisoindoline-1,3-dione as Potential Carcinogenic Kinase PAK1 Inhibitor: DFT Calculation, Molecular Docking Study and ADMET Prediction
105
Theoretical Evaluation of a Model of the Catalytic Triads of Serine and Cysteine Proteases byab initioMolecular Orbital Calculation
106
Theoretical evaluation of a technique for electrokinetic decontamination of soils
107
Theoretical evaluation of adiabatic and vertical electron affinity of some radiosensitizers in solution using FEP, ab initio and DFT methods Original Research Article
108
Theoretical Evaluation of Antioxidant Activity of Tea Catechins
109
THEORETICAL EVALUATION OF BI-LEVEL DRAIN INSTALLATION UNDER STEADY STATE AND RADIAL FLOW CONDITIONS*
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Theoretical evaluation of burns to the human respiratory tract due to inhalation of hot gas in the early stage of fires
111
Theoretical evaluation of diffusivity of hydrogen in palladium and rhodium
112
Theoretical evaluation of dissolution and biochemical reduction of TNT for phytoremediation of contaminated sediments
113
Theoretical evaluation of errors in aerosol optical depth retrievals from ground-based direct-sun measurements due to circumsolar and related effects
114
Theoretical evaluation of film growth rate during atomic layer epitaxy
115
Theoretical evaluation of high-energy lithium metal phosphate cathode materials in Li-ion batteries
116
Theoretical Evaluation of Li et al.'s Approach for Improving a Binary Watermark-Based Scheme in Remote Sensing Data Communications
117
Theoretical evaluation of maximum temperature difference in segmented thermoelectric coolers
118
Theoretical evaluation of medicinal properties for some of N-aryl-3-hydroxypyridine-4-ones derivative compounds
119
Theoretical evaluation of methods for extracting retention factors and kinetic rate constants in liquid chromatography
120
THEORETICAL EVALUATION OF NONLINEAR EFFECTS ON OPTICAL WDM NETWORKS WITH VARIOUS FIBER TYPES
121
Theoretical evaluation of non-uniform skin effect on aquifer response under constant rate pumping
122
Theoretical evaluation of peripheral nerve stimulation during MRI with an implanted spinal fusion stimulator
123
Theoretical evaluation of Raman spectra and enhancement factors for a molecule adsorbed on a complex-shaped metal particle
124
Theoretical evaluation of the advantages and limitations of constant pressure versus constant flow rate gradient elution separation in supercritical fluid chromatography
125
Theoretical evaluation of the collection efficiency at ring-disc microelectrodes
126
Theoretical evaluation of the effective work functions for positive-ionic and electronic emissions from polycrystalline metal surfaces
127
Theoretical evaluation of the physical properties of copper—lead rheocast alloys
128
Theoretical evaluation of the physical properties of copper—lead rheocast alloys
129
Theoretical evaluation of trans-critical CO2 systems in supermarket refrigeration. Part I: Modeling, simulation and optimization of two system solutions
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Theoretical evaluation of trans-critical CO2 systems in supermarket refrigeration. Part II: System modifications and comparisons of different solutions
131
Theoretical evaluation on effect of internal heat exchanger in ejector expansion transcritical CO2 refrigeration cycle
132
Theoretical evaluation on the impact of heat exchanger in Advanced Adiabatic Compressed Air Energy Storage system
133
Theoretical evidence for a new kind of intramolecular dihydrogen bond
134
Theoretical evidence for a two-step mechanism in the functionalization single-walled carbon nanotube by aryl diazonium salts: Comparing effect of different substituent group
135
Theoretical evidence for empirical findings of A. Pulgarin on Lotka’s law
136
Theoretical evidence for fast H-divacancy rotation on H/Pd(1 1 1)
137
Theoretical evidence for T1/2 specific heat behavior in carbon nanotube systems Original Research Article
138
Theoretical evidence for the existence of excitons in MgO
139
Theoretical evidence for the reaction O2(ν) + O2(ν = 0) → O3(X1A1) + O(3P)
140
Theoretical evidence for the reaction of N-methyl-2-pyrrolidinone with carbon disulfide
141
Theoretical evidence for the stability of the (AlF5)2− complex anion
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Theoretical evidence of bound metastable states in the doubly ionized nickel dimer Ni22+
143
Theoretical evidence of multiple dye regeneration mechanisms in dye-sensitized solar cells
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Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes
145
Theoretical examination of aggregation effect on the dielectric characteristics of spherical cellular suspension Original Research Article
146
Theoretical examination of optical and EPR spectra for Cu2+ ion in K2PdCl4 crystal
147
Theoretical examination of reference electrodes for lithium-ion cells
148
Theoretical examination of the pulse vaccination policy in the SIR epidemic model
149
Theoretical examination of the standing osmotic gradient response to a step change of the solute influx into the symplast
150
Theoretical expectations for a fractional quantum Hall effect in graphene
151
Theoretical expectations for the muonʹs electric dipole moment Original Research Article
152
Theoretical expectations for thresholds in the relationship between number of wood-living species and amount of coarse woody debris: A study case in spruce forests
153
Theoretical Experimental and Studies on the Influence of the Mast Mounted Sight (MMS) on the Dynamic Behavior of the Focal Isolation System (FIS) of Helicopter
154
Theoretical explanation and experimental observation of effective cyclotron coupling of traveling and near-cutoff modes on a phase-synchronized electron beam
155
Theoretical explanation and experimental observation of effective cyclotron coupling of traveling and near-cutoff modes on a phase-synchronized electron beam
156
Theoretical explanation of the ‘local resonance’ in stepped acoustic horn based on Four-End Network method
157
Theoretical explanation of the g factor for Cr4+ in Y2SiO5 crystal
158
Theoretical Explanation of the Use of Cyberspace and the Evolution of Family Structure in Iran with Emphasis on the Concept of Generation Gap
159
Theoretical Explanation of Uneven Transverse Temperature Distribution in Wide Thin Strip Rolling Process Original Research Article
160
Theoretical explanations of g factors of the first excited 2E state for Al2O3 : Mn4+ system
161
Theoretical exploration for the combination of the ecological, energy, carbon, and water footprints: Overview of a footprint family
162
Theoretical exploration of a taut cable and a TMD system
163
Theoretical exploration of structure–reactivity relationships in organometallic chemistry: butadiene insertion into the organyltransition-metal bond and conversion of the allyltransition-metal fragment in the [NiII(η5-Cp)(η1-phenyl)(η2-butadiene)] compl
164
Theoretical exploration of the half-metallicity of graphene nanoribbons/boron nitride bilayer system
165
Theoretical exploration of the potential energy surface of the HOI → HIO isomerization reaction
166
Theoretical exploration to the substituting effect on second-order nonlinear optical properties for lacunary γ-Keggin polyoxometalates
167
Theoretical expression for change of extraordinary refractive index in annealed proton exchanged LiNbO3 optical waveguides
168
Theoretical expression of rate of rise of recovery voltage across a circuit breaker connected with fault current limiter
169
Theoretical expressions for describing the stiffness and strength of regular hexagonal honeycombs with Plateau borders
170
Theoretical expressions for removing tritium from exhaust gas
171
Theoretical fatigue–effective notch stresses at spot welds
172
Theoretical feasibility study on neutron spectrometry with the polyallyldiglycol carbonate (PADC) solid-state nuclear track detector
173
Theoretical feasibility study on neutron spectrometry with the polyallyldiglycol carbonate (PADC) solid-state nuclear track detector
174
Theoretical flow investigations of an all glass evacuated tubular collector
175
Theoretical formalism and experimental confirmation of intermolecular dipolar effects under time-averaged magnetic field gradients
176
Theoretical formalism for bead movement powered by single two-headed motors in a motility assay Original Research Article
177
Theoretical formulation and experimental validation of the input–output modeling approach for large solar thermal systems
178
Theoretical formulation of finite-dimensional discrete phase spaces: I. Algebraic structures and uncertainty principles Original Research Article
179
Theoretical formulation of finite-dimensional discrete phase spaces: II. On the uncertainty principle for Schwinger unitary operators Original Research Article
180
Theoretical formulation of the diffusion through a slab—theory validation
181
Theoretical Formulations for Finite Element Models of Functionally Graded Beams with Piezoelectric Layers
182
Theoretical foundation for a simple method for simultaneous measurements of the unattached fraction and activity median diameter of attached radon progeny
183
Theoretical Foundation for an Electromagnetic Two-Phase Flowmetry
184
THEORETICAL FOUNDATION FOR THE METHOD OF CONNECTED LOCAL FIELDS
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Theoretical Foundation of Carbonation Pellet Process for Ferrous Sludge Recycling Original Research Article
186
Theoretical foundation of macroscopic traffic models
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Theoretical foundation of the controlling UEP method for direct transient-stability analysis of networkpreserving power system models
188
Theoretical foundations for tail electron hydrodynamical models in semiconductors Original Research Article
189
Theoretical Foundations of Development Information Science
190
THEORETICAL FOUNDATIONS OF NEAR-FIELD-FAR-FIELD TRANSFORMATIONS WITH SPIRAL SCANNINGS
191
Theoretical foundations of optimal aerosol technology in plant protection. Part 2. Flying insects
192
Theoretical foundations of optimal aerosol technology in plant protection. Part 3. Crawling insects
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Theoretical foundations of optimal aerosol technology in protection of plants. Part I. General principles
194
Theoretical foundations of organizational problem solving methodologies in Operational Research
195
Theoretical foundations of sustainable economic welfare indicators — ISEW and political economy of the disembedded system
196
Theoretical foundations of the structural analysis of movement sessions
197
Theoretical Foundations of the Web: Cognition, Communication, and Co-Operation. Towards an Understanding of Web 1.0, 2.0, 3.0
198
Theoretical Foundations of Travel Choice Modeling, Tommy Gärling, Thomas Laitila, Kerstin Westin (Eds.); Elsevier Science B.V., P.O. Box 211, 1000 AE Amsterdam, Netherlands, 1998, 498 pp. + xii, ISBN 0-08-043062-7, US$122.50 (Available in North America fr
199
Theoretical foundations of travel choice modeling: Edited by Tommy Gäring, Thomas Laitila and Kerstin Westin. Elsevier Science (Boulevard Langford Lane, Oxford, OX5 1GB, UK) 1998, xii+498 pp (tables, references, appendixes, indexes). ISBN 0-08-043062-7.
200
Theoretical frame of the saturated freezing soil
201
Theoretical frames for smart structures
202
Theoretical framework and empirical evidence of students cognitive processes in three dimensions of content, complexity, and time
203
Theoretical Framework for a Local, Agile Supply Chain to Create Innovative Product Closer to End-user: Onshore-Offshore Debate
204
Theoretical framework for local PLS1 regression, and application to a rainfall data set
205
Theoretical framework for local PLS1 regression, and application to a rainfall data set
206
Theoretical framework for mapping pulse shapes in semiconductor radiation detectors
207
Theoretical framework for mapping pulse shapes in semiconductor radiation detectors
208
Theoretical framework for octopus rhodopsin crystallization
209
Theoretical framework of an identification problem for an elliptic variational inequality with bilateral restrictions
210
Theoretical Framework of Collaborative Design Issues
211
Theoretical frameworks for competency in cognitively impaired elderly adults
212
Theoretical Frameworks in Qualitative Research.
213
Theoretical free oscillations spectrum for Saturn interior models Original Research Article
214
THEORETICAL FUNDAMENTALS OF THE RESIDUAL DISCRETE SERVICE LIFE OF TECHNICAL OBJECTS
215
THEORETICAL FUNDAMENTALS OF THE RESIDUAL DISCRETE SERVICE LIFE OF TECHNICAL OBJECTS
216
Theoretical generalization and research on the mechanism of the unsteady-state grinding technique
217
Theoretical geothermometers andPCO2 indicators for aqueous solutions coming from hydrothermal systems of medium-low temperature hosted in carbonate-evaporite rocks. Application to the thermal springs of the Etruscan Swell, Italy
218
Theoretical Gibbs free energy study on UO2(H2O)n2+ and its hydrolysis products
219
Theoretical Grounds of Economic Growth
220
Theoretical H 2CO emission from protostellar envelopes
221
Theoretical heat flux in water and habitat selection of phocid seals and beluga whales during the annual molt
222
Theoretical high energy physics: formal theory
223
Theoretical high energy physics: formal theory
224
Theoretical identification of structural heterogeneities of divalent nickel active sites in NiMCM-41 nanoporous catalysts
225
Theoretical illustration on the catalytic effect of alanine methyl ester nitrate ionic liquid on the Diels–Alder reaction between cyclopentadiene and methacrylate
226
Theoretical impact failure distribution of granules
227
Theoretical impacts of terminal atoms (C, B, N, and P) on fragments of single-walled hetero carbon nanotubes
228
theoretical implication of pro parte dolus pro parte culpa wrongdoing in the formulation of passive money laundering
229
Theoretical implications of LHC results
230
Theoretical implications of LHC results
231
Theoretical implications of the TWIST experiment results
232
Theoretical improvements in the stability analysis of a new class of model-free visual servoing methods
233
Theoretical incentive properties of contingent valuation questions: Do they matter in the field?
234
Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies Original Research Article
235
Theoretical insight into [Pd(en)(H2O)2]2+ binding to Guanine form [{Pd(en)(guanine)}4]4+: Kinetic control and thermodynamic control
236
Theoretical insight into cooperativity in lithium-bonded complexes: Linear clusters of LiCN and LiNC
237
Theoretical insight into the Jahn–Teller system NaCl:Rh2+
238
Theoretical insight into the mechanism of Pt(ІІ)-catalyzed [3+2] cycloaddition reactions of propadienyl silyl ethers with alkenyl ethers
239
Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond
240
Theoretical insight into the spectral characteristics of Fe(II)-based complexes for dye-sensitized solar cells: Functionalized bipyridyl chromophores
241
Theoretical insight into the structural, elastic and electronic properties of N4H4 compounds
242
Theoretical insight of adsorption thermodynamics of multifunctional molecules on metal surfaces
243
Theoretical insight of polypyrrole ammonia gas sensor
244
Theoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes
245
Theoretical insight towards the photo-dissociation dynamics of O3–H2O complex: Deep understanding the source of atmospheric hydroxyl radical
246
Theoretical insights into the adsorption behavior of CO molecules on the pure and V_n-doped BN nanotubes
247
Theoretical insights into the adsorption of monatomic Ag on the (2 × 2) BiOCl (0 0 1) surfaces
248
Theoretical insights into the electronic and magnetic behaviors of the metal substituted 1H-MoS2 systems: Their potential towards CO adsorption and sensing
249
Theoretical insights into the encapsulation of anticancer Oxaliplatin drug into single walled carbon nanotubes
250
theoretical insights into the intermolecular and mechanisms of covalent interaction of flutamide drug with cooh and cocl functionalized carbon nanotubes: a dft approach
251
Theoretical insights into the nature of intermolecular interactions in cytosine dimer Original Research Article
252
Theoretical insights into the structure and reactivity of the aqueous/metal interface
253
Theoretical insights into the structure of the η5-(Cp∗)C+ cation
254
Theoretical insights into the surface growth of rutile TiO2
255
Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8 molecule
256
Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8¯ molecule
257
Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Sidoped Graphynes
258
Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes
259
Theoretical insights on electron donor–acceptor interactions involving carbon dioxide
260
Theoretical insights on the antioxidant activity of edaravone free radical scavengers derivatives
261
Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes
262
Theoretical interpretation of different nanotube morphologies among Group III (B, Al, Ga) nitrides
263
Theoretical interpretation of optical and EPR spectra and the substitutional site of ferroelectric LiNbO3:Ni2+ crystal
264
Theoretical interpretation of the filtration process in magnetized packed beds
265
Theoretical interpretation of the high-energy electro-absorption spectrum of crystalline fullerene
266
Theoretical interpretation of the infrared lineshape of gaseous propynoic and acrylic acid dimers
267
Theoretical Interpretation of the Luminosity and Spectral Properties of GRB 031203
268
Theoretical interpretation of the optical afterglow of GRB 030329 Original Research Article
269
Theoretical interpretation of the variety of spin gap in high-Tc cuprates
270
Theoretical interpretation of the zero-field splitting parameters for ions in wide-band gap semiconductor single crystal
271
Theoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
272
Theoretical Investigation and Design of Novel Anti-proliferative Agents against Hepatocellular Carcinoma from Benzimidazole-Chalcone derivatives
273
Theoretical Investigation and Optimization of Radiation Thermal Conduction of Thermal-Insulation Polyolefin Foams
274
Theoretical investigation for adsorption of CO2 and CO on MIL-101 compounds with unsaturated metal sites
275
Theoretical Investigation for Neon Doping Effect on the Electronic Structure and Optical Properties of Rutile TiO2 for Photocatalytic Applications by Ab Initio Calculations
276
Theoretical investigation for the hydrogen bond interaction in THF–water complex
277
Theoretical investigation for the mediated activation of the C–CN in CH3CN by Zr atom in the gas phase
278
Theoretical investigation for the reaction of N2O with CO catalyzed by MO+ (M = Ru, Os)
279
Theoretical investigation for the reaction of NO2 with CO catalyzed by Sc+
280
Theoretical investigation for two cascaded SPR fiber optic sensors
281
Theoretical investigation into condensation heat transfer on horizontal elliptical tube in stationary saturated vapor with wall suction
282
Theoretical Investigation into Spectral Coexistence of CDMA and TDMA Systems
283
Theoretical investigation into the likely reaction mechanisms of benzyl alcohol with dimethyl carbonate over a faujasite zeolite catalyst
284
Theoretical investigation of (−)1-(Benzofuran-2-yl)-2-propylaminopentane [(−)-BPAP] as a hydroxyl radical scavenger Original Research Article
285
Theoretical investigation of [5,5], [9,0] and [10,10] closed SWCNTs
286
Theoretical investigation of {1 1 0} generalized stacking faults and their relation to dislocation behavior in perovskite oxides Original Research Article
287
Theoretical investigation of 1,10-bi-2-naphthol isomerization
288
Theoretical investigation of 1,3-butanediol adsorption on an oxygen-defected CeO2(111) surface
289
Theoretical Investigation of 4-Methyl-4H-1,2,4-triazole-3-thiol and Its Mononuclear and Dinuclear Palladium(II) Complexes; Molecular Structure, NBO Analysis, FT-IR and UV-Vis Spectroscopy
290
Theoretical investigation of 8 *10-Gb/s WDM signal transmission performance based on gain-equalized SOAs using backward Raman pumping at DCF
291
Theoretical investigation of à 2Σg+–X 2Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation Origina
292
Theoretical investigation of a first wall fabrication process
293
Theoretical investigation of a humidification-dehumidification desalination system configured by a double-pass flat plate solar air heater Original Research Article
294
Theoretical investigation of a reported antibiotic from the “Miracle Tree” Moringa oleifera
295
Theoretical investigation of a single erbium center in hexagonal gallium nitride
296
THEORETICAL INVESTIGATION OF A SOLAR AIR HEATER ROUGHENED BY RIBS an‎d GROOVES
297
Theoretical Investigation of a Time-Suboptimal Control Method for Rotational Motions of Industrial Manipulators End-Effectors
298
Theoretical investigation of a waveguide application in a FEL with large μc
299
Theoretical investigation of absorption spectrum of SO2 molecule: Including S1–S2 vibronic coupling
300
Theoretical investigation of adiabatic capillary tubes working with propane/n-butane/iso-butane blends
301
Theoretical investigation of adsorption and dissociation of H2 on (ZrO2)n (n=1–6) clusters
302
Theoretical Investigation of Amantadine Adsorption on Sc-, Ti-, and Zn-Boron Nitride Nanosheets: DFT, NBO, and QTAIM
303
Theoretical investigation of an all-organic molecular transistor
304
Theoretical Investigation of an Eddy-Viscosity-Type Expression of the Reynolds Stress with Low-Reynolds-Number Effect
305
Theoretical investigation of an optical fiber amplifier loop for intra-cavity and ring-down cavity gas sensing
306
Theoretical investigation of anomalous diffusion in a random lattice
307
Theoretical investigation of aromatics production enhancement in thermal coupling of naphtha reforming and hydrodealkylation of toluene
308
Theoretical investigation of assembled (CdTe)12×N (N = 1–5) multi-cage nanochains
309
Theoretical Investigation of Axial and Local Particle Size Distribution on Expanded Bed Adsorption Process
310
Theoretical investigation of band gap and optical properties of ZnO1−xTex alloys (x = 0, 0.25, 0.5, 0.75 and 1)
311
Theoretical investigation of C60 fullerene functionalization with tetrazine
312
Theoretical investigation of catalytic HCO3- hydrogenation in aqueous solutions
313
Theoretical investigation of C–H⋯H–B dihydrogen bonded complexes of acetylenes with borane-trimethylamine
314
Theoretical investigation of charge transfer to solvent in photoexcited iodide–acetonitrile clusters
315
Theoretical investigation of cis-nitric oxide dimer with hybrid density functional theory methods
316
Theoretical investigation of CO adsorption on TM-doped (MgO)12 (TM = Ni, Pd, Pt) nanotubes
317
Theoretical investigation of CO2 and NO2 adsorption onto Co-, Rh- and Ir-doped (5,5) single-walled carbon nanotubes
318
Theoretical investigation of collision induced dissociation in He + Na2 Original Research Article
319
Theoretical investigation of conformational stabilities and 13C NMR chemical shifts of a seven-membered ring thiosugar, (3R,4R,5R,7S)-7-(hydroxymethyl)thiepane-3,4,5-triol
320
Theoretical Investigation of Consumption Patterns Effect on Optimal Orientation of Collector in Solar Water Heating System
321
Theoretical investigation of Cottrell atmosphere in silicon
322
Theoretical investigation of Cu-containing materials with different valence structure types: BaCu2S2, Li2CuSb, and LiCuS Original Research Article
323
Theoretical investigation of cyclooxygenase inhibition property of several non-steroidal anti-inflammatory drugs by density functional theory calculations and molecular docking studies
324
Theoretical investigation of dielectric corona pre-ionization TEA nitrogen laser based on transmission line method
325
Theoretical investigation of diffusion along columns packed with fully and superficially porous particles
326
Theoretical investigation of disorder effect on positron states in GaxIn1__xAsySb1 __y/GaSb
327
Theoretical Investigation of Doping Concentration in Silicon Semiconductor Using Optical Principle
328
Theoretical Investigation of Doping Effect of Fe for SnWO4 in Electronic Structure and Optical Properties: DFT Based First Principle Study
329
Theoretical investigation of effects of light fuel fumigation on diesel engine performance and emissions
330
THEORETICAL INVESTIGATION OF EGYPT CLIMATE CONDITIONS ON THE PERFORMANCE OF PEM FUEL CELL
331
Theoretical investigation of electroluminescent alkoxy substituted 4,4′-bis(2-phenylethenyl)biphenyls as guest in blue OLEDs
332
Theoretical investigation of electronic and optical properties of andalusite within density functional theory
333
Theoretical investigation of electronic structure and field emission properties of carbon nanotube–ZnO nanocontacts Original Research Article
334
Theoretical investigation of electronic structure and optical properties of paramagnetic non-oxide perovskite AlCNi3
335
Theoretical investigation of electronic structure and spectroscopic properties of functionalized bis-silicon-bridged stilbene homologue
336
Theoretical investigation of electronic structure of PbSxTe1−x and PbSexTe1−x alloys
337
Theoretical investigation of electronic structure, elastic and thermodynamic properties of chalcopyrite CdSiP2
338
Theoretical investigation of electronic structures and excitation energies of hexaphyrin and its group 11 transition metal (III) complexes
339
Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
340
Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
341
Theoretical investigation of electronic, optical and photovoltaic properties of alkylamine-based organic dyes as sensitizers for application in DSSCs
342
Theoretical investigation of electro-osmotic flows and chaotic stirring in rectangular cavities
343
Theoretical investigation of encapsulation of the two azomethine derivatives into BN(6,6-8) nanotube: a DFT study
344
Theoretical investigation of engine thermal efficiency, adiabatic flame temperature, NOx emission and combustion-related parameters for different oxygenated fuels
345
Theoretical investigation of EPR and molecular orbital coefficient parameters for [Cu(hsm)2(sac)2] complex
346
Theoretical investigation of EPR parameters for two trigonal Yb3+ centers in LiNbO3 and LiNbO3:MgO crystals Original Research Article
347
Theoretical investigation of equilibrium and transition state structures, binding energies and barrier heights of water-encapsulated open-cage [59]fullerenone complexes
348
Theoretical investigation of ethane dehydrogenation on cationic Zn species in ZSM-5 zeolites—The second Al center in vicinity of the cation is essential for the accomplishment of the complete catalytic cycle
349
Theoretical investigation of ethylene/1-butene copolymerization process using constrained geometry catalyst (CpSiH2NH)-Ti-Cl2
350
Theoretical investigation of flame propagation process in an SI engine running on gasoline–ethanol blends
351
Theoretical investigation of fullerene nano carrier anti-cancer drug delivery of Azacitidine
352
Theoretical investigation of gas separation inside a microchannel by thermal diffusion
353
Theoretical investigation of heat balance in direct injection (DI) diesel engines for neat diesel fuel and gasoline fumigation
354
Theoretical investigation of hydrodynamic surface mode in a lined duct with sheared flow and comparison with experiment
355
Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and hydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt Original Research Article
356
Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
357
Theoretical investigation of InAs/GaInSb type-II superlattice infrared detectors for long wavelength and very long wavelength infrared applications
358
Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds
359
Theoretical investigation of interaction between a rectangular plate and fractional viscoelastic foundation
360
Theoretical investigation of interaction between Gatifloxacin and DNA: Implications for anticancer drug design
361
Theoretical investigation of interaction between psoralen and altretamine with stacked DNA base pairs
362
Theoretical investigation of intersubband transition energies and oscillator strength in CdS/SiO2 quantum dots
363
Theoretical investigation of intersubband transition in AlxGa1−xN/GaN/AlyGa1−yN step quantum well
364
Theoretical investigation of inter-surface diffusion on non-planar GaAs surfaces
365
Theoretical investigation of LaCn+ (n=2–8) clusters
366
Theoretical investigation of Lamb wave A0 mode in thin SiC/AlN membranes for sensing application in liquid media
367
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
368
Theoretical investigation of local electron temperature in quantum Hall systems
369
Theoretical investigation of local proton conductance in the proton exchange membranes
370
Theoretical investigation of local structure distortion and absorption spectra for tetragonal Cr2+ ion in ZnSe:Cr2+ system
371
Theoretical investigation of M≡E bonds in transition metal–ylidyne complexes trans-[H(PMe3)4M≡ER] (M = Mo, W; E = Si, Ge, Sn, Pb; R = Mes, Xylyl)
372
Theoretical investigation of Malva sylvestris L. in point of Nano Bio Technology
373
Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)
374
Theoretical investigation of metal-molecule interface with terminal groups
375
Theoretical investigation of metal-molecule interface with terminal groups
376
Theoretical investigation of mixed-ligand lanthanocene complexes, (η5-C5H5)2LnX · OC4H8 (Ln=La, Gd, Lu; X=F, Cl, Br, I)
377
Theoretical investigation of Mn adsorbates aside self-organised Bi nanolines on hydrogenated Si(0 0 1) surface
378
Theoretical investigation of moderate misfit and interface energetics in the Fe/VN system
379
Theoretical investigation of molecular hydrogen adsorption and dissociation on AlnV(n = 1–13) clusters
380
Theoretical investigation of nerve agent DMMP adsorption onto Stone–Wales defected single-walled carbon nanotube
381
Theoretical investigation of new MgS-ZnSe structures
382
Theoretical investigation of new MgS-ZnSe structures
383
Theoretical investigation of nitrogen-containing polyisothianaphthene derivatives
384
Theoretical investigation of nitrogen-linked poly(2,7-carbazole)s as hole-transport materials for organic light emitting diodes
385
Theoretical investigation of novel phenothiazine-based D–π–A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells
386
Theoretical investigation of OCN− adsorption onto boron nitride nanotubes
387
Theoretical investigation of ozone production in negative corona discharge
388
Theoretical investigation of phase transformations and molecular surface properties of polycyclic saturated hydrocarbon isomers of JP-10
389
Theoretical investigation of phase transition on GaAs(0 0 1)-c(4 4) surface
390
Theoretical investigation of phonon-polariton modes in undoped and ion-doped PPLN crystals
391
Theoretical investigation of plasma immersion ion implantation of cylindrical bore using hollow cathode plasma discharge
392
Theoretical investigation of polyhedral hydrocarbons (CH)n
393
Theoretical investigation of polymers near surface of various molecular weights, architecture and external parameters by mean-field variable-density model
394
Theoretical investigation of pore-scale mechanisms of carbonated water injection
395
Theoretical investigation of potential energy curves and radiative lifetimes of low-lying electronic states in GeH+ radical cation
396
Theoretical investigation of pressure losses in cyclone separators
397
Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane
398
THEORETICAL INVESTIGATION OF RECTANGULAR PATCH ANTENNA MINIATURIZATION BASED ON THE DPS-ENG BI-LAYER SUPER-SLOW TM WAVE
399
Theoretical investigation of redox species in condensed phase
400
Theoretical investigation of redox species in condensed phase
401
Theoretical Investigation Of Renewable Energy Data For Northern Parts India
402
Theoretical Investigation of Second-Order Nonlinear Optical Properties of Substituted Benzothiazole Derivatives
403
Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite Original Research Article
404
Theoretical investigation of solar humidification–dehumidification desalination system using parabolic trough concentrators
405
Theoretical investigation of stable dropwise condensation heat transfer on a horizontal tube
406
Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid
407
Theoretical investigation of stokes shift of 3,4-diaryl-substituted maleimide fluorophores
408
Theoretical investigation of s-triazine derivatives as novel second-order nonlinear optical chromophores
409
Theoretical investigation of structural and electronic properties of wurtzite image clusters Original Research Article
410
Theoretical investigation of structural stability and lattice vibrations of U6Fe16Si7 and its interstitial carbide U6Fe16Si7C
411
Theoretical investigation of structures, electronic spectra and nonlinear optical properties of gold-pentacene (Au2C22H14) complexes
412
Theoretical Investigation of Superconducting State Parameters of Binary Metallic Glasses Cu1−cSnc
413
Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases
414
Theoretical investigation of tetra-substituted pyrenes for organic light emitting diodes
415
Theoretical investigation of tetra-substituted pyrenes for organic light emitting diodes
416
Theoretical investigation of the Al–Cr–B orthorhombic ternary compounds
417
Theoretical investigation of the anomalous equilibrium fractionation of multiple sulfur isotopes during adsorption
418
Theoretical investigation of the Ar+(J) + H2 → ArH+ + H reaction: semiclassical coupled wavepacket treatment Original Research Article
419
Theoretical investigation of the Au/Si(1 1 1)-(5 × 2) surface structure
420
Theoretical investigation of the Auger and photoion-yield spectra resulting from 3d photoionization or 3d→4f excitation of atomic Eu
421
Theoretical investigation of the Auger and photoion-yield spectra resulting from 3d photoionization or 3d-4f excitation of atomic Eu
422
Theoretical investigation of the behavior of an acoustic metamaterial with extreme Youngʹs modulus
423
Theoretical investigation of the bonding properties of N-heterocyclic carbenes coordinated to electron-rich d8 metal centers
424
Theoretical investigation of the Ca+–N2 and Ca2+–N2 complexes
425
Theoretical investigation of the chemical bonds in metal chelates as emitting material for OLED
426
Theoretical investigation of the chemical structure and vibrational signature at the aluminum-polythiophene interface
427
Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin
428
Theoretical investigation of the conducting properties of substituted phosphole oligomers
429
Theoretical investigation of the conduction and valence band offsets of GaAs1 x Nx/GaAs1 yNy heterointerfaces
430
Theoretical investigation of the conformation and hydrogen bonding ability of 5-arylazosalicylaldoximes
431
Theoretical investigation of the conventional CX1X2− (X1, X2 = H, F, Cl, Br, and I) compounds
432
Theoretical investigation of the Cu EOS standard Original Research Article
433
Theoretical investigation of the dissociative interchange (Id) mechanism for water exchange on magnesium(II) in aqueous solution
434
Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols
435
Theoretical investigation of the effect of plasticity on crack growth along a functionally graded region between dissimilar elastic–plastic solids
436
Theoretical investigation of the effect of rotational excitation on the stereodynamics of the reaction
437
Theoretical investigation of the effect of the solvent, hydrogen bond and amino group on the isomerization of Rhodamines
438
Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−xGax) alloy Original Research Article
439
Theoretical investigation of the effects of field margin and hedges on crop yields 
440
Theoretical investigation of the elastic, thermodynamic, electronic and magnetic properties of PrNi2Si2 and PrNi2Ge2
441
Theoretical investigation of the electron velocity in quantum Hall bars, in the out of linear response regime
442
Theoretical investigation of the electronic and optical properties of oligothiophenes upon methyl, thiol, and thiomethyl substitutions
443
Theoretical investigation of the electronic structure of 1-(3,4; 3,5 and 3,6-bis-selenocyanato-phenyl) pyrrolidinofullerenes
444
Theoretical investigation of the enhanced solubility of perfluorobenzene in the supercritical carbon dioxide as a function of temperature and density by Monte Carlo simulation
445
Theoretical investigation of the field conditions in a vibrating reverberation chamber with an unstirred component
446
Theoretical investigation of the first hyperpolarizability redox-switching in a ruthenium complex
447
Theoretical investigation of the formation of five-membered metallacycles by reaction of CO with metallacyclobutenones: differences between Ni and Pt
448
Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites
449
Theoretical Investigation of the gas-phase reactions of (CF3)2CHOCH3 with OH Radical
450
Theoretical investigation of the ground and excited state of silylated coumarin
451
Theoretical investigation of the growth rate of carbon nanotubes in chemical vapor deposition
452
Theoretical investigation of the hetero-junction effect in PVP-stabilized Au13 clusters. The role of PVP in their catalytic activities
453
Theoretical investigation of the hydrogen bonding interaction between substituted phenols and simple O- and N-bases
454
Theoretical Investigation of the Imprinting Efficiency of Molecularly Imprinted Polymers
455
Theoretical investigation of the influence of isotope mass on chemicurrents during adsorption of H on K(110)
456
Theoretical investigation of the interaction between glycine amino acid and fullerenes
457
Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method
458
Theoretical investigation of the interaction of oxygen with pure and K-doped NiTi shape memory surface alloys Original Research Article
459
Theoretical investigation of the intrinsic piezoelectric properties for tetragonal BaTiO3 epitaxial films
460
Theoretical investigation of the inversion parameter in Co3 − sAlsO4 (s = 0–3) spinel structures
461
Theoretical investigation of the island formation on a hydrogen-terminated Si 001/ surface
462
Theoretical investigation of the lattice dynamics of GaAlSb superlattices
463
Theoretical investigation of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes
464
Theoretical investigation of the luminescence centres in PbWO4 and CdWO4 crystals
465
Theoretical investigation of the luminescence centres in PbWO4 and CdWO4 crystals
466
Theoretical investigation of the mechanism and kinetics for HCO + HCN ⇄ HCHO + CN
467
Theoretical investigation of the mechanism of the reaction IO + NO → I + NO2
468
Theoretical investigation of the mechanisms of the biphenyl formation in Ni-catalyzed reductive cross-coupling system
469
Theoretical investigation of the mechanisms of the biphenyl formation in Ni-catalyzed reductive cross-coupling system
470
Theoretical investigation of the monomer reactivity in polyindole derivatives
471
Theoretical investigation of the MTC noise estimate in 1-D homogeneous systems
472
Theoretical investigation of the nature of the ground state in the low-bandgap conjugated polymer, poly(3,4-ethylenedioxythiophene)
473
Theoretical investigation of the nonlinear optical properties of substituted anilines and N,N-dimethylanilines
474
Theoretical investigation of the off-axis z-scan technique for nonlinear optical refraction measurement
475
Theoretical investigation of the one-photon and two-photon absorption properties for star-shaped polycyclic aromatic based on oligothiophenes-functionalized truxene
476
Theoretical investigation of the origin of the large non-linear optical response in acceptor-substituted carotenoids
477
Theoretical investigation of the p + He → H + He+ and p + He → H + He++ + e reactions at very small scattering angles of hydrogen
478
Theoretical investigation of the performance of a novel loop heat pipe solar water heating system for use in Beijing, China
479
Theoretical investigation of the phase behaviour of mixtures of a novel family of perfluoroalkyl–polyoxyethylene ether diblock surfactants in aqueous solutions of carbon dioxide
480
Theoretical investigation of the photodissociation dynamics by the decay of a non-dissociative excited state: application to core-excited N2
481
Theoretical investigation of the photosensitization mechanisms of urocanic acid
482
Theoretical investigation of the potential energy surfaces for the O(1D)+N2O reaction
483
Theoretical investigation of the pressure dependences of energy gaps in InAs and InSb
484
Theoretical investigation of the pressure dependences of energy gaps in InAs and InSb
485
Theoretical investigation of the pressure induced cubic-diamond-β-tin phase transition in the Si0.5Ge0.5
486
Theoretical investigation of the proton effect on electropolymerization of aniline
487
Theoretical investigation of the Pt3Al ground state
488
Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol
489
Theoretical investigation of the reactions of O(3P) with CH3F and CH2F2 Original Research Article
490
Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase
491
Theoretical investigation of the reflectivity of fullerene-(C60, C70)/AlN multilayers in UV region
492
Theoretical investigation of the resonant hyper-Raman scattering by optical phonons
493
Theoretical investigation of the role of the RANK–RANKL–OPG system in bone remodeling
494
Theoretical investigation of the role of π–π interactions for the stability of phenylene ethynylene aggregates Original Research Article
495
Theoretical investigation of the scope of sequential ligand tuning using a bifunctional scorpionate tris(1,2,4-triazolyl)borate-based architecture
496
Theoretical investigation of the second-order nonlinear optical properties of calix[4]arene molecules
497
Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes
498
Theoretical investigation of the static (dynamic) polarizability and second hyperpolarizability of DAAD quadrupolar push–pull molecules. A comparison among HF (TD-HF), DFT (TD-B3LYP), and MP2 (TD-MP2) methods
499
Theoretical investigation of the static (hyper)polarizabilities and reorganization energy of 4,5-dicyanoimidazole chromophore and derivatives containing benzene rings and a saturated bridge
500
Theoretical investigation of the structure and conformational behaviour of small selenophene oligomers
501
Theoretical investigation of the substituent effect on the electronic and optical properties of photochromic dithienylethene derivatives
502
Theoretical investigation of the substituent effects in the conformational isomerism of bromoalkoxycyclohexanes
503
Theoretical investigation of the system SnOx/Sn for the thermochemical storage of solar energy
504
Theoretical investigation of the thermochemistry of hydrofluoroethers
505
Theoretical investigation of the thickness effect of ferroelectric incorporating semiconducting properties
506
Theoretical investigation of the torsional spectra of 2,2,2-trifluoroethanol Original Research Article
507
Theoretical investigation of the vibrational dynamics of Ag+CO solvated in the Ne matrix
508
Theoretical investigation of the XHgXeX and HHgXeX (X = F, Cl, Br) compounds
509
Theoretical investigation of the β value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals
510
Theoretical investigation of thermal activation of methane by [Pd(H)(OH)]+
511
Theoretical investigation of thermally and photochemically induced haptotropic rearrangements of chromium ligands on naphthalene systems
512
Theoretical investigation of thermally induced coalescence mechanism of single-wall carbon nanohorns and their mechanical properties
513
Theoretical investigation of thione-thiol tautomerism, intermolecular double proton transfer reaction and hydrogen bonding interactions in 4-ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione
514
Theoretical investigation of thunderstorm induced enhancements of cosmic ray fluxes
515
Theoretical Investigation of Time Suboptimal Control of Industrial Manipulators Along Specified Paths
516
Theoretical investigation of transfer-loss process in 0.2–2 MeV/u collisions of O5+ ions with H2 and He targets
517
Theoretical investigation of typical fcc precipitates in Mg-based alloys Original Research Article
518
Theoretical investigation of UV photoelectron spectra of pyridine compound molecules
519
Theoretical investigation of van der Waals forces between solid surfaces at nanoscales
520
Theoretical Investigation of Viscosity and Thermal Conductivity ‎of a Gas along a Non-isothermal Vertical Surface in Porous ‎Environment with Dissipative Heat: Numerical Technique
521
Theoretical investigation of wear-resistance mechanism of superelastic shape memory alloy NiTi
522
Theoretical investigation of X-ray radiation of 4–4 transitions in highly charged tungsten ions
523
Theoretical investigation of X-ray radiation of 4–4 transitions in highly charged tungsten ions
524
Theoretical investigation of zero-field splitting and local structure distortion for a substitution of Fe3+ ion in CdCl2 crystal Original Research Article
525
Theoretical investigation on 3rd harmonic voltage in inductive measurements of critical current density in superconducting films
526
Theoretical investigation on antioxidant activity of vitamins and phenolic acids for designing a novel antioxidant
527
Theoretical investigation on atmospheric reaction of atomic O(3P) with acrylonitrile
528
Theoretical investigation on BaTiO3 with periodic density functional theory BLYP method Original Research Article
529
Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra
530
Theoretical investigation on charge transport parameters of two novel heterotetracenes as ambipolar organic semiconductors
531
Theoretical investigation on CO2 absorption into DEAB solution using hollow fiber membrane contactors
532
Theoretical investigation on compressibility, electronic and thermodynamic properties of single crystal PtAs2 under high pressure
533
Theoretical investigation on degradation behaviors of spectral properties of thermal control coatings induced by charged particles
534
Theoretical investigation on different effects of nitrogen and boron substitutional impurities on the structures and field emission properties for carbon nanotubes
535
Theoretical investigation on electronic properties of topological materials: Mِbius nanographite and conjugated polymers
536
Theoretical investigation on electronic structure and mechanical properties of cubic crystallographic structures with point defects in Al-based alloys
537
Theoretical investigation on H2 elimination reactions of germylenoid H2GeLiF with RH (R = F, OH, and NH2)
538
Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin
539
Theoretical investigation on intramolecular electron transfer in polypeptides
540
Theoretical investigation on mechanisms and kinetics of the reactions of Cl atom with CH3OOH and CH3CH2OOH
541
Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method
542
Theoretical investigation on organolanthanide guanidinate complexes
543
Theoretical investigation on photochromic diarylethene: A short review
544
Theoretical investigation on photophysical properties for 2,7-carbazole derivatives as solar cells materials: Effect of substitution
545
Theoretical investigation on possible mechanisms on regioselective formation of (η3-siloxyallyl)tungsten complexes
546
Theoretical investigation on proton transfer mechanism of hydrated melamine
547
Theoretical investigation on proton-induced intramolecular charge transfer of a D-π-A dye for a pH molecular switch
548
Theoretical investigation on pyrolysis mechanism of glycerol
549
Theoretical investigation on quinoline-based platinum (II) complexes as efficient singlet oxygen photosensitizers in photodynamic therapy
550
Theoretical investigation on r.f. current drive in reversed-field pinch plasma
551
Theoretical investigation on second-order nonlinear optical properties of (dicyanomethylene)-pyran derivatives
552
Theoretical investigation on spin-polarized junctions with 4-valued conductances: application to carbon nanotube encapsulating magnetic atoms
553
Theoretical investigation on structural properties of ethylene clusters (C2H4)n (n ⩽ 25)
554
Theoretical investigation on structural stability of InN thin films on 3C–SiC(0 0 1)
555
Theoretical investigation on structures and isomerizations of the aluminum chlorogermylenoid H2GeClAlCl2
556
Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg–Teller effect
557
Theoretical investigation on temperature and pressure dependence of structural stability of InP thin layers grown on InP(111)A surface
558
Theoretical investigation on the 1H and 13C chemical shifts of TRODAT-1 compound with density functional theory and Hartree-Fock computational methods
559
Theoretical investigation on the absorption enhancement of the crystalline silicon solar cells by pyramid texture coated with SiNx:H layer
560
Theoretical investigation on the antioxidant behavior of chrysoeriol and hispidulin flavonoid compounds – A DFT study
561
Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with Sdonor Biomolecules and DNA Purine Bases
562
Theoretical investigation on the aromaticity of mono-substituted benzene derivatives by using cyclic reference
563
Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method
564
Theoretical investigation on the cylinder-shaped N66 cage
565
Theoretical investigation on the cylinder-shaped N84 cage
566
Theoretical investigation on the dimple occurrence in the thermal EHL of simple sliding steel–glass circular contacts
567
Theoretical investigation on the dynamic performance of CMUT for design optimization
568
Theoretical investigation on the effects of π-conjugation attenuation of poly(p-phenylenevinylene) polymers upon incorporating 2,2′-bipyridines
569
Theoretical investigation on the electronic and charge transport characteristics of push–pull molecules for organic photovoltaic cells
570
Theoretical investigation on the electronic and charge transport characteristics of push–pull molecules for organic photovoltaic cells
571
Theoretical investigation on the electronic and optical properties of diarylfluorene-based π-stacked molecules as supramolecular semiconductors
572
Theoretical investigation on the electronic states localized at grain boundaries in semiconductors
573
Theoretical investigation on the electronic structures and phosphorescent properties of a series of Ir(III) complexes with the diphenyl(1-naphthyl)phosphine ancillary ligand
574
Theoretical investigation on the electronic structures and phosphorescent properties of seven iridium(III) complexes with the different substituted 2-phenylpyridinato ancillary ligand
575
Theoretical investigation on the encapsulation of atomic hydrogen into heterofullerene nanocages
576
Theoretical investigation on the fast kinetics mechanism for vibronically activated photochromism in benzopyrans. The role of the conical intersection topology in driving the mode enhanced photoproducts
577
Theoretical investigation on the first hyperpolarizability of push–pull polyenes containing non-aromatic cyclic olefines
578
Theoretical investigation on the ground- and excited-state properties of novel octupolar oligothiophene-functionalized truxenes and dipolar analogs
579
Theoretical investigation on the interactions between borazine and first-row hydrides
580
Theoretical investigation on the liquid junction potential in a slit-like microchannel
581
Theoretical investigation on the magnetic and electronic properties of La2NiIrO6
582
Theoretical investigation on the magnetocaloric effect in MnAs using a microscopic model to describe the magnetic and thermal hysteresis
583
Theoretical investigation on the mechanism and kinetics of OH radical with m-xylene
584
Theoretical investigation on the mechanism of surface temperature non-uniformity formation in spray cooling
585
Theoretical investigation on the mechanisms of transfer hydrogenation of ketones catalyzed by iridium complexes
586
Theoretical investigation on the model active site for isotactic polypropylene in heterogeneous Ziegler–Natta catalyst: A density functional study
587
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)
588
Theoretical investigation on the oligothienoacenes under the influence of external electric field Original Research Article
589
Theoretical investigation on the one- and two-photon absorption properties of a series of porphyrazines with annulated 1,2,5-thiadiazole and 1,4-dimethyloxybenzene moieties
590
Theoretical investigation on the one- and two-photon absorption properties of multi-branched oligomers with truxenone center and fluorene branches
591
Theoretical investigation on the performance prediction of solar still
592
Theoretical investigation on the photophysical properties of low-band-gap copolymers for photovoltaic devices
593
Theoretical investigation on the polarizability and second hyperpolarizability of polysilole
594
Theoretical investigation on the polyaddition of A2 and CB2 monomers with non-equal reactivity
595
Theoretical investigation on the potential energy surface for the reactions of B, Al and Ga with NO Original Research Article
596
Theoretical investigation on the Pt(ІІ)-catalyzed [3+2] cycloaddition reactions of propargyl ether derivatives with n-butyl vinyl ether
597
Theoretical investigation on the Pt(ІІ)-catalyzed tandem migration reactions of propargylic carboxylates
598
Theoretical investigation on the reaction mechanism of aryl alcohols and p-Toluenesulfonylmethyl isocyanide catalyzed by InCl3
599
Theoretical investigation on the reaction of adhesion unit dopa in mussel with electrolyzing seawater
600
Theoretical investigation on the reaction of ionized water with ethylene
601
Theoretical investigation on the reaction of N2O and CO catalyzed by PtO+
602
Theoretical investigation on the regioselectivity of Ni(COD)2-catalyzed [2 + 2 + 2] cycloaddition of unsymmetric diynes and CO2
603
Theoretical investigation on the regioselectivity of Ni(COD)2-catalyzed [2 + 2 + 2] cycloaddition of unsymmetric diynes and CO2
604
Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO2 onto SiO2 dust surface
605
Theoretical investigation on the saturated hydrides of F5F7–C60 with in-out isomerism
606
Theoretical investigation on the Schelling’s critical neighborhood demand
607
Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range separating parameter dependence
608
Theoretical investigation on the structural stability of GaAs nanowires with two different types of facets
609
Theoretical investigation on the structural stability of GaP nanowires with image facets
610
Theoretical investigation on the structure and electronic properties of barium titanate
611
Theoretical investigation on the structure, stability and superhalogen properties of OsFn (n = 1–7) species
612
Theoretical investigation on the structures of silicon and carbon hetero clusters
613
Theoretical investigation on the transition-metal borides with Ta3B4-type structure: A class of hard and refractory materials
614
Theoretical investigation on the use of high permittivity materials in microstrip aperture stacked patch antennas
615
Theoretical investigation on the vibrational and electronic spectra of three isomeric forms of dicobalt octacarbonyl
616
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission
617
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission (Part II)
618
Theoretical investigation on two-dimensional molecule-based second-order nonlinear optical materials of the disubstituted o-carborane derivatives
619
Theoretical investigation on wireless vibration control of thin beams using photostrictive actuators
620
Theoretical Investigation to Corrosion Inhibition Efficiency of Some Chloroquine Derivatives Using Density Functional Theory
621
Theoretical investigations for surface plasmon resonance based optical fiber tip sensor
622
Theoretical investigations for zinc blende–wurtzite polytypism in GaAs layers at Au/GaAs(1 1 1) interfaces
623
Theoretical Investigations into the Structural and Electronic Influences on the Hydrogen Bonding in Doped Polyaniline
624
Theoretical investigations of 13C chemical shifts in glucose, cellobiose, and native cellulose by quantum chemistry calculations
625
Theoretical investigations of a novel microfluidic cooling/warming system for cell vitrification cryopreservation
626
Theoretical investigations of adatom adsorptions on the As-stabilized GaAs(1 1 1)A surface
627
Theoretical investigations of adatom behavior on non-planar surfaces with GaAs(n 1 1)A
628
Theoretical investigations of adsorption of fluorine atoms on the Si(001) surface
629
Theoretical investigations of elastic and thermodynamic properties of hexagonal Re3N
630
Theoretical investigations of epitaxial strain effects in ferroelectric oxide thin films and superlattices
631
Theoretical investigations of EPR g factors for Ce3+ ion at monoclinic Cs site in YAlO3 crystal
632
Theoretical investigations of EPR parameters and local structure of single erbium center in hexagonal GaN layers
633
Theoretical investigations of free radicals and negative molecular ions and their calculated photoelectron spectra
634
Theoretical investigations of interstitial atoms in bcc metals: Local lattice distortion and diffusion barrier
635
Theoretical investigations of nanopatterning on the Au(1 1 1) surface
636
Theoretical investigations of NiTiSn and CoVSn compounds Review Article
637
Theoretical investigations of NMR chemical shieldings on the AlPON catalyst system
638
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
639
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
640
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
641
Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory
642
Theoretical investigations of oligo(phenylene ethylene) molecular wire: Effects from substituents and external electric field
643
Theoretical investigations of optical properties of l-arginine trifluoroacetate crystal
644
Theoretical investigations of physical properties of AlxScyB1−x−yN quaternary alloys
645
Theoretical investigations of Pt3X (X = Al, Sc, Hf, Zr) ground state
646
Theoretical investigations of spectroscopy and excited state dynamics of adenine
647
Theoretical investigations of spin–orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+
648
Theoretical investigations of stable growth sites on GaAs(001) surfaces
649
Theoretical investigations of structural, elastic, electronic and thermal properties of Damiaoite PtIn2
650
Theoretical investigations of substitution site and local structure distortion for tetragonal Cr2+ ion in AgGaSe2:Cr2+ compound
651
Theoretical investigations of the C–H⋯N interactions and molecular electrostatic potentials: aza derivatives of cubane
652
Theoretical investigations of the charge transfer characteristics in dichlorotitanium phthalocyanine (TiCl2Pc) and tin phthalocyanine (SnPc)
653
Theoretical investigations of the chromatographic separation of interacting enantiomers
654
Theoretical investigations of the electronic and magnetic structures for the [CoCl4]2− cluster in Cs3CoCl5 crystal
655
Theoretical investigations of the electronic and optical properties of wurtzite and metastable rock-salt ZnO
656
Theoretical investigations of the excited-state intramolecular proton transfer reaction in N-substituted-3-hydroxypyridinones Original Research Article
657
Theoretical investigations of the gas-phase pre-reactive complexes of oxirane with HF, HCl, F2 and ClF
658
Theoretical investigations of the influence of phosphine ligands on the structure of the compounds [Cu12S6(PR3)8]
659
Theoretical investigations of the interaction of silver trimer with ethylene molecule
660
Theoretical investigations of the Jahn–Teller distortions for V3+ and Cr4+ in α-Al2O3
661
Theoretical investigations of the physical properties of tetragonal CaSiO3 perovskite
662
Theoretical investigations of the physical properties of zircon-type YVO4
663
Theoretical investigations of the proton transfer reaction in hydrogen-bonded complexes of cytosine with HNO
664
Theoretical investigations of the structures and properties of molybdenum-based sulfide catalysts Review Article
665
Theoretical investigations of the UV spectra of coumarin derivatives
666
Theoretical investigations of the γ-gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculations
667
Theoretical investigations of transport through a Kondo dot with a side-coupled noninteracting quantum-dot array
668
Theoretical investigations of triphenylamine derivatives as hole transporting materials in OLEDs: Correlation of the Hammett parameter of the substituent to ionization potential, and reorganization energy level
669
Theoretical Investigations of Vibrational – Rotational Energy of some Hydrogen Halide Molecules
670
Theoretical investigations of β-trimethylsilyl-substituted iminium ions
671
Theoretical investigations on CH2CH–CH2OH on the Si(1 0 0)-2 × 1 and Ge(1 0 0)-2 × 1 surfaces
672
Theoretical investigations on electronic and charge transport properties of novel organic semiconductors – Triisopropylsilylethynyl(TIPS)-functionalized anthradifuran and anthradithiophene derivatives
673
Theoretical investigations on kinetics, mechanism and thermochemistry of the gas phase reactions of CHF2OCF2CHF2 with OH radicals
674
Theoretical investigations on maleimide and its indolyl derivatives: Rational drug design approach for PKCβII inhibitors
675
Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study
676
Theoretical investigations on multiple-reflection and Rayleigh absorption–emission–scattering effects in laser drilling
677
Theoretical investigations on R(O)nS–NO (n=0,1,2) systems
678
Theoretical investigations on simultaneous operation of vapour compression refrigeration cycle and Stirling cycle in miniature Stirling cooler with two-component two-phase mixture Original Research Article
679
Theoretical investigations on structural, electronic, and magnetic properties of TM2Np2 (Np = Naphthalene, TM = Sc–Ni) sandwich clusters
680
Theoretical investigations on structure, electrostatic potentials and vibrational frequencies of diglyme and Li+–(diglyme) conformers
681
Theoretical investigations on the 3d94p−3d10 spectrum of CuII
682
Theoretical investigations on the electronic and optical characteristics of fused-ring homopolymers: Comparison of oligomer method and PBC−DFT method
683
Theoretical investigations on the formation of wurtzite segments in group III–V semiconductor nanowires
684
Theoretical investigations on the functionalization of carbon nanotubes Review Article
685
Theoretical investigations on the high light yield of the LuI3:Ce scintillator
686
Theoretical investigations on the kinetics of p-cymene + OH reaction
687
Theoretical investigations on the mechanism of chalcogens exchange reaction between P(V) and P(III) compounds
688
Theoretical investigations on the modified integer round-up property for the one-dimensional cutting stock problem
689
Theoretical investigations on the modulation of the polymer electronic and optical properties by introduction of phenoxazine
690
Theoretical investigations on the orientational dependence of electron transport through porphyrin molecular wire
691
Theoretical investigations on the performance of an externally adjustable fluid-film bearing including misalignment and turbulence effects
692
Theoretical investigations on the potential-induced formation of Pt-oxide surfaces
693
Theoretical investigations on the reaction kinetics of CH3OCl/CD3OCl with chloride ion
694
Theoretical Investigations on the Separation of Medetomidine Enantiomers
695
Theoretical investigations on the SO2 + HO2 reaction and the SO2–HO2 radical complex
696
Theoretical investigations on the structural, lattice dynamical and thermodynamic properties of XC (X=Si, Ge, Sn)
697
Theoretical investigations on the structure and relative stabilities of the tautomeric forms of 6-amino-5-nitrosouracil and violuric acid derivatives (PM3-COSMO calculation)
698
Theoretical investigations on the vibronic coupling between the electronic states S0 and S1 of formic acid including the photodissociation at 248 nm
699
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules
700
Theoretical Investigations on Thermal Light Emission From Metallic Carbon Nanotubes
701
Theoretical Investigations on Thiadiazole Derivatives as Corrosion Inhibitors on Mild Steel
702
Theoretical investigations on two-phase flow instability in parallel multichannel system
703
Theoretical investigations on ZnCdO2 and ZnMgO2 alloys: A first principle study
704
Theoretical invetigation of the role of choriocapillari blood flow in treatment of ubfoveal choroidal neovacularization aociated with age-related macular degeneration
705
Theoretical isochrones for the (delta)a photometric system
706
Theoretical Issues and Methodological Implications in Researching Visual Search Behaviours: A Preliminary Study Comparing the Cognitive and Ecologic Paradigms
707
Theoretical issues in cost-effectiveness analysis
708
Theoretical Issues in the Calculation of the Electrical Resistivity of Plasmas
709
Theoretical Issues on LTI Systems That Preserve Signal Richness
710
Theoretical justification of approximate norm minimization method for intelligent digital redesign
711
Theoretical justification of the central area indices and the central interval indices
712
Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine
713
Theoretical kinetic investigation of thermal decomposition of methylcyclohexane
714
Theoretical kinetic study of the unimolecular decomposition of 2-bromopropene
715
Theoretical L X-ray emission probabilities in the decay of 241Am
716
Theoretical L X-ray emission probabilities in the decay of 241Am
717
Theoretical LEED parameters for the zinc-blende GaN (110) surface
718
Theoretical LEED parameters for the zinc-blende GaN (110) surface
719
Theoretical levels of control as a function of mean temperature and spray efficacy in the aerial spraying of tsetse fly
720
Theoretical limits of thermoelectric power generation from exhaust gases
721
Theoretical Maximal Flow of the Left Ventricle is Sensitive to Change in Ventricular Afterload
722
Theoretical mean wave resistance of precursor solition generation in two-layer flow
723
Theoretical means for searching bimetallic alloys as anode electrocatalysts for direct liquid-feed fuel cells
724
Theoretical Measurement Uncertainty of White-Light Interferometry on Rough Surfaces
725
Theoretical mechanisms and kinetics of the hydrogen abstraction reaction of acetone by chlorine radical
726
Theoretical mechanisms of the superoxide radical anion catalyzed by the nickel superoxide dismutase
727
Theoretical mechanistic study of OH-initiated atmospheric oxidation reaction of allyl alcohol in the presence of O2 and NO
728
Theoretical method for non-crystalline growth
729
Theoretical methods for the relativistic atomic many-body problem
730
Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms
731
THEORETICAL MINIMUM COST COMBINATION OF DEPTH AND SPACING FOR SUBSURFACE DRAINS UNDER RADIAL FLOW CONDITIONS
732
Theoretical Misconceptions and Misuse of Statistics: A Critique of Khodadady and Hashemi (2011) and Some General Remarks on Cronbachʹʹs Alpha
733
Theoretical model and experimental analysis of a high pressure PEM water electrolyser for hydrogen production
734
Theoretical model and experimental diagnostics of nonlinear electrostatic structures in space plasma Original Research Article
735
Theoretical model and experimental study of red blood cell (RBC) deformation in microchannels
736
Theoretical model and investigation of concrete filled steel tube columns under axial force–torsion combined action
737
Theoretical Model Development for Agricultural Extension in Iran’s Resistive Economy
738
Theoretical model for annular flow condensation in rectangular micro-channels
739
Theoretical model for calculation of thermal diffusion factors in diluted binary melts
740
Theoretical model for electron emission from the coating-layer on the ferroelectric disk
741
Theoretical model for electron emission from the coating-layer on the ferroelectric disk
742
Theoretical model for evaluation of variable frequency drive for cooling water pumps in sea water based once through condenser cooling water systems
743
Theoretical model for fast bubble growth in small channels with reference to startup of capillary pumped loops used in spacecraft thermal management systems
744
Theoretical Model for Fiber-Reinforced Polymer-Confined Concrete
745
Theoretical model for moisture adsorption on ionic liquids: A modified Brunauer–Emmet–Teller isotherm approach
746
Theoretical model for oxidative activation of the O–H bond to platinum(0) complexes
747
Theoretical model for slender FRP-confined circular RC columns
748
Theoretical model for the evolution of the linguistic diversity
749
Theoretical Model for the Stereoselectivity and Solvent Dependence of an Enantioselective Amine N-acetylation
750
Theoretical Model for the Stereoselectivity and Solvent Dependence of an Enantioselective Amine N-acetylation
751
Theoretical model for the structural phase transition in polymerized KC60
752
Theoretical model for the thermal conductivity of a packed bed of solid spheroids in the presence of a static gas, with no adjustable parameters except at low pressure and temperature
753
Theoretical model for the transverse interference pattern of GRIN optical fiber using a laser sheet of light
754
Theoretical model for ultra fast dynamics of vibronic couplings in conjugated polymers
755
Theoretical model of a drying system including turbulence aspects Original Research Article
756
Theoretical model of a new fishery under a simple quota management system
757
Theoretical model of a new fishery under a simple quota management system
758
Theoretical model of air curtain with serials-parallel fans and experimental study
759
Theoretical model of antifreeze protein–ice adsorption: Binding of large ligands to a two-dimensional homogeneous lattice
760
Theoretical model of ball joint squeak
761
Theoretical model of crack branching in magnetoelectric thermoelastic materials
762
Theoretical model of cylindrical Langmuir probe for low-pressure electronegative discharges Original Research Article
763
Theoretical model of effective stress coefficient for rock/soil-like porous materials
764
THEORETICAL MODEL OF ELECTROMAGNETIC SCATTERING FROM 3D MULTI-LAYER DIELECTRIC MEDIA WITH SLIGHTLY ROUGH SURFACES
765
Theoretical model of electrostatic precipitator performance for collecting polydisperse particles
766
Theoretical model of heat balance in pigs
767
Theoretical model of interactions between ligand-binding sites in a dimeric protein and its application for the analysis of thiamine diphosphate binding to yeast transketolase Original Research Article
768
Theoretical model of laminar flow in a channel or tube under ocean conditions
769
Theoretical model of liquid aerosol particles deformation and shattering by high intensive laser radiation
770
Theoretical model of piezoelectric fibre pull-out
771
Theoretical model of reticulocyte to erythrocyte shape transformation
772
Theoretical model of steady-state magnetic reconnection in collisionless incompressible plasma based on the Grad–Shafranov equation solution Original Research Article
773
Theoretical Model of Steel Continuous Casting Technology Original Research Article
774
Theoretical model of thalassemic erythrocyte shape transformation
775
Theoretical model of the abiotic component of soil 13CO2 tracer efflux in 13C pulse-labeling experiments on plant–soil systems
776
Theoretical model of the abiotic component of soil 13CO2 tracer efflux in 13C pulse-labeling experiments on plant–soil systems
777
Theoretical model of the Bergeron–Findeisen mechanism of ice crystal growth in clouds
778
Theoretical model of the determination of the deformation rates of RC beams
779
Theoretical model of the grasp with vacuum gripper
780
Theoretical model of the interfacial reactions between solid iron and liquid zinc-aluminium alloy
781
Theoretical Model of the Polarization Properties of the Retinal Nerve Fiber Layer in Reflection
782
Theoretical model of the porosity of copolymer membranes
783
Theoretical model of the transformation superplastic diffusion bonding of eutectoid steel
784
Theoretical model of treatment strategies for clear cell carcinoma of the ovary: Focus on perspectives
785
Theoretical model on interface failure mechanism of reinforced concrete continuous beam strengthened by FRP
786
Theoretical model on the formation possibility of secondary organic aerosol from OH initialed oxidation reaction of styrene in the presence of O2/NO
787
Theoretical model on the heat and mass transfer in silica gel packed beds during the regeneration assisted by high-intensity ultrasound
788
Theoretical model to calculate steady-state and transient ampacity and temperature in buried cables
789
Theoretical model to determine the effects of geometrical factors on the resorption of calcium phosphate bone substitutes
790
Theoretical model with experimental validation of a regenerative blower for hydrogen recirculation in a PEM fuel cell system
791
Theoretical modeling and characteristic analysis of moving-train induced ground vibrations
792
Theoretical modeling and experimental analysis of direct contact membrane distillation
793
Theoretical modeling and experimental studies on biodiesel-fueled engine
794
Theoretical modeling and numerical solutions of some standard thermoluminescence detector crystals
795
Theoretical modeling and properties of class DIII topological superconductors
796
THEORETICAL MODELING AND SIMULATION OF PHASE–LOCKED LOOP (PLL) FOR CLOCK DATA RECOVERY (CDR)
797
Theoretical modeling and simulations of perovskite ferroelectrics: From phenomenological approaches to ab initio
798
THEORETICAL MODELING FOR FRETTING WEAR
799
Theoretical modeling framework for an unsaturated freezing soil
800
Theoretical modeling of a compound-drop spray in premixed flames
801
Theoretical modeling of air electrode operating in SOFC mode and SOEC mode: The effects of microstructure and thickness
802
Theoretical Modeling of Central Air-Jet Pump Performance for Pneumatic Transportation of Bulk Solids
803
Theoretical Modeling of Central Air-Jet Pump Performance for Pneumatic Transportation of Bulk Solids
804
Theoretical modeling of coexisting tetragonal and rhombohedral heterophase polydomain structures in lead zirconate titanate ferroelectric films near the morphotropic phase boundary Original Research Article
805
Theoretical modeling of crack arrest by inserting interference fit fasteners
806
Theoretical modeling of dark current and photo-response for quantum well and quantum dot infrared detectors
807
Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210)[001] tilt grain boundary
808
Theoretical Modeling of Effective Components on Biophilic Design of Spaces between Residential Complexes
809
Theoretical modeling of electrode impedance for an oxygen ion conductor and metallic electrode system based on the interfacial conductivity theory
810
Theoretical modeling of electrode impedance for an oxygen ion conductor and metallic electrode system based on the interfacial conductivity theory. Part II: Case of the limiting process by non-steady-state surface diffusion
811
Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method
812
Theoretical modeling of energy balance in electroerosion
813
Theoretical modeling of excitation and de-excitation processes of Er in SiO2 with Si nanocrystals
814
Theoretical modeling of fluid flow in cellular biological media: An overview
815
Theoretical Modeling of Gravity Segregation in WAG Improved Oil Recovery for Tilted Reservoirs
816
Theoretical modeling of guided wave propagation in a sandwich plate subjected to transient surface excitations
817
Theoretical modeling of influence of the structural disorder on the charge carrier mobility in triphenylene stacks
818
Theoretical modeling of infrared spectra of benzoic acid and its deuterated derivative
819
THEORETICAL MODELING OF IONIC SURFACTANT ADSORPTION ON MINERAL OXIDE SURFACES
820
Theoretical Modeling of Long-Time Drug Release from Nitrosalicyl-Imine-Chitosan Hydrogels through Multifractal Logistic Type Laws
821
Theoretical Modeling of Mechanical Resistance and Stability and Related Characteristics of Polymeric Systems with Branching/Cross-Linking
822
Theoretical modeling of metal–hydrogen interactions in Pd clusters
823
Theoretical modeling of metal–hydrogen interactions in Pd clusters
824
Theoretical modeling of molar volume and thermal expansion
825
Theoretical modeling of molar volume and thermal expansion Original Research Article
826
Theoretical modeling of monazite growth in a low-Ca metapelite
827
Theoretical Modeling of Multi-Sleeve Monopole Antennas
828
Theoretical Modeling of Obliquely Crossed Photothermal Deflection for Thermal Conductivity Measurements of Thin Films
829
Theoretical modeling of photocatalytic active species on illuminated TiO2
830
Theoretical Modeling of Pseudo Hydrostatic Force in Solid-Liquid Pipe Flow with Two Layers
831
Theoretical modeling of sliding vane compressor with leakage
832
Theoretical modeling of stream potholes based upon empirical observations from the Orange River, Republic of South Africa
833
Theoretical modeling of the effects of shock duration, frequency, and strength on the degree of electroporation
834
Theoretical modeling of the electronic spectra of poly(p-phenylene vinylene)
835
Theoretical modeling of the formation of chiral molecular patterns in self-assembled overlayers
836
Theoretical Modeling of the Ground State Intramolecular Proton Transfer in Cytosine: DFT Level Study
837
Theoretical Modeling of the Impact of Political Ties on China’s Economic Expansion
838
Theoretical modeling of the interaction of water with poly-p-phenylene vinylene
839
Theoretical modeling of the square-planar to tetrahedral isomerization of bis-chelate nickel(II) complexes
840
Theoretical modeling of thermally activated luminescence quenching through charge transfer states in lanthanide complexes
841
Theoretical modeling of TiO2/TCO interfacial effect on dye-sensitized solar cell performance
842
Theoretical modelling and effectiveness study of rail vibration absorber for noise control
843
Theoretical modelling of bowing in cracked marble slabs under cyclic thermal loading
844
Theoretical modelling of cis  -vacant and trans  -vacant configurations in the octahedral sheet of illites and smectites
845
Theoretical modelling of cutting forces in helical end milling with cutter runout
846
Theoretical modelling of cutting forces in helical end milling with cutter runout
847
Theoretical modelling of cutting forces in helical end milling with cutter runout
848
Theoretical modelling of ductile damage in duplex stainless steels – Comparison between two micro-mechanical elasto-plastic approaches
849
Theoretical modelling of electrokinetic flow in microchannel networks
850
Theoretical modelling of gas flow and filtering of particulates in cracks in containment barriers, and comparison with other theoretical and empirical studies
851
Theoretical modelling of iron nitriding coupled with a nanocrystallisation treatment. Application to numerical predictions for ferritic stainless steels
852
Theoretical Modelling of Metallurgical Defect Closing-Up Processes During Forming a Forging Original Research Article
853
Theoretical modelling of momentum transfer function of bi-disperse porous media
854
Theoretical modelling of scanning tunnelling microscopy, scanning tunnelling spectroscopy and atomic force microscopy
855
Theoretical modelling of self assembly of zwitterionic surfactants at the silica/water interface
856
Theoretical modelling of the effect of plasticity on reverse transformation in superelastic shape memory alloys
857
Theoretical modelling of the epoxidation of vinylallenes to give cyclopentenones
858
Theoretical modelling of X-ray fluorescence signals for different lunar compositions and dependence on solar activity Original Research Article
859
Theoretical modelling, analysis and validation of the shaft motion and dynamic forces during rotor–stator contact
860
Theoretical models and analytic expressions for buildup time of pulsed confocal unstable optical parametric oscillators with uniform or Gaussian reflectivity mirrors
861
Theoretical models and experimental results on the temperature dependence of polyfluorene solar cells
862
Theoretical models for description of the gas-solid surface vibrational interactions
863
Theoretical models for determination of weight percent of PHCS-g-PLLA copolymer using experimental data
864
Theoretical models for effective electrical and electrochemical properties of nano-particle infiltrated electrode of solid oxide fuel cell
865
Theoretical Models for Fluid Bed Drying of Cut Vegetables
866
Theoretical models for prediction of mechanical behaviour of the PP/EPDM nanocomposites fabricated by friction stir process
867
Theoretical models for single-molecule DNA and RNA experiments: from elasticity to unzipping
868
Theoretical models for supercritical fluid extraction
869
Theoretical models for the description of the IR frequency shifts of carbon monoxide interacting with silanol groups
870
Theoretical models for void coalescence in porous ductile solids. I. Coalescence “in layers”
871
Theoretical models for void coalescence in porous ductile solids. II. Coalescence “in columns”
872
Theoretical models of dark energy
873
Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site
874
Theoretical models of ferromagnetic III–V semiconductors
875
Theoretical models of health behavior and workplace self-protective behavior
876
Theoretical models of localized electrostatic structures in the auroral magnetosphere Original Research Article
877
Theoretical models of possible compact nucleosome structures Original Research Article
878
Theoretical models of sales promotions: Contributions, limitations, and a future research agenda
879
Theoretical models of sorption kinetics including a surface reaction mechanism: A review
880
Theoretical Models of the Antecedents and Consequences of Organizational, Workgroup, and Professional Esprit De Corps
881
Theoretical Models of the Halo Occupation Distribution: Separating Central and Satellite Galaxies
882
Theoretical models of ZnS nanoclusters and nanotubes: First-principles calculations
883
Theoretical models to evaluate hazard due to organochlorine compounds (OCs) in Mediterranean striped dolphin (Stenella coeruleoalba)
884
Theoretical models to predict the flexural failure of reinforced concrete beams under blast loads
885
Theoretical molecular Auger spectra with electron population analysis
886
Theoretical molecular structures for weakly bound complexes HX⋯·SO3 (X=F, Cl, Br): ab initio and DFT calculations
887
Theoretical morphology of tetrapod skull networks
888
Theoretical motivations for Equivalence Principle tests Original Research Article
889
Theoretical natural frequencies and mode shapes for thin and thick curved pipes and toroidal shells
890
Theoretical NMR study of the hydrogen bond and CH-π interactions in FH…Pyridine┴X-benzene complexes
891
Theoretical observations of π-systems as sodium bond donors
892
Theoretical optical gain in InGaN quantum wells
893
Theoretical optical gain in InGaN quantum wells
894
Theoretical optimisation of the side-wall of micropillar array columns using computational fluid dynamics
895
Theoretical optimization of Irinotecan-based anticancer strategies in the case of drug-induced efflux
896
Theoretical optimizations of acoustic wave gas sensors with high conductivity sensitivities
897
Theoretical oscillator strengths, transition probabilities, and radiative lifetimes of levels in Pb V
898
Theoretical overview of jet quenching
899
Theoretical Overview of Quark Gluon Plasma
900
Theoretical oxygen potential change of quaternary solid solution, Ay2+Bz3+U1−y−zO2+x, by configurational entropy calculation
901
Theoretical oxygen requirement for coal combustion: relationship with its calorific value
902
Theoretical particle physics
903
Theoretical performance analysis of doped optical fibers based on pseudo parameters
904
Theoretical performance analysis of electrochromic radiators for space suit thermal control Original Research Article
905
Theoretical performance analysis of ethanol-fuelled solid oxide fuel cells with different electrolytes
906
Theoretical performance analysis of mirroring World Wide Web sites
907
Theoretical performance analysis of the multi-stage gas-solid fluidized bed air preheater
908
Theoretical performance of genetic pattern classifier
909
Theoretical performance of HCFC123 as an alternative to CFC11
910
Theoretical performances of various refrigerant–absorbent pairs in a vapor-absorption refrigeration cycle by the use of equations of state
911
Theoretical perspective of alcohol decomposition and synthesis from CO2 hydrogenation
912
Theoretical perspective on the nucleon strange magnetic form factor Original Research Article
913
Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
914
Theoretical perspectives for enhancing biological diversity in forest ecosystems in Europe
915
Theoretical perspectives of trade-off analysis using DEA
916
Theoretical Perspectives on Groupthink: A Twenty-Fifth Anniversary Appraisal
917
Theoretical Perspectives on Labor and Colonialism: Reconsidering the California Missions
918
Theoretical perspectives on learning in an informal setting
919
Theoretical perspectives on suicide in gay men with AIDS
920
Theoretical perspectives on the coordination of supply chains
921
Theoretical perspectives on the coordination of supply chains
922
Theoretical phase diagram calculation and membrane morphology evaluation for water/solvent/polyethersulfone systems
923
Theoretical photoabsorption spectra of Arn+ clusters
924
Theoretical photoabsorption spectrum of Ar3+
925
Theoretical photoemission and X-ray emission spectra of nickel and cobalt disilicide films
926
Theoretical picture of the dynamics of the autoionization event in He(23S)H2 Penning ionization: collision energy dependence Original Research Article
927
Theoretical pKa prediction of O-phosphoserine in aqueous solution
928
Theoretical poroelasticity—a new approach
929
Theoretical possibilities of InxGa1−xN tandem PV structures
930
Theoretical precisions for sciamachy limb retrieval Original Research Article
931
Theoretical prediction and crashworthiness optimization of multi-cell triangular tubes
932
Theoretical prediction and experimental verification of low loading of platinum on titanium carbide as low-cost and stable electrocatalysts
933
Theoretical prediction and experimental verification of temperature distribution in FGM cylindrical plates subjected to thermal shock
934
Theoretical prediction and FEM analysis of superplastic forming of AA7475 aluminum alloy in a hemispherical die
935
Theoretical prediction and the characters of a new type of weak interaction: A single-electron sodium bond system with H–Be as an electron donor and Na–Y (Y = H, OH, F, CCH, CN and NC) as electron acceptors
936
Theoretical prediction for several important equilibrium Ge isotope fractionation factors and geological implications
937
Theoretical prediction of a carrier gas effect under nucleation in thermal diffusion chambers Original Research Article
938
Theoretical prediction of a novel inorganic fullerene-like family of silicon–carbon materials
939
Theoretical prediction of a surface-induced spin-reorientation phase transition in BaFe12O19 nanocrystals
940
Theoretical prediction of Al(OH)3 nanotubes and their properties
941
Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory
942
Theoretical prediction of binding modes and hot sequences for allopsoralen–DNA interaction
943
Theoretical prediction of bulk glass forming ability (BGFA) of Ti–Cu based multicomponent alloys
944
Theoretical prediction of creep flux in aeolian sand transport
945
Theoretical prediction of dynamic composite material properties for hypervelocity impact simulations
946
Theoretical prediction of ELNES/XANES and chemical bondings of AlN polytypes
947
Theoretical prediction of emulsion color
948
Theoretical prediction of ferrimagnetism in Mn2FeB, Mn2CoB and Mn2NiB
949
Theoretical prediction of FKrOH
950
Theoretical prediction of hydrogen storage on Li decorated planar boron sheets
951
Theoretical prediction of longitudinal heat conduction effect in cross-corrugated heat exchanger
952
Theoretical prediction of new Kubas four centre H2 complexes involving dimolybdate clusters
953
Theoretical prediction of new noble-gas molecules OBNgF (Ng = Ar, Kr, and Xe)
954
Theoretical prediction of optical absorption maxima for photosensory receptor mutants
955
Theoretical prediction of phosphorus nanotubes
956
Theoretical prediction of product distribution of the pyrolysis of high density polyethylene
957
Theoretical prediction of proton chemical shift in supercritical water using gas-phase approximation
958
Theoretical prediction of relative and absolute pKa values of aminopyridines Original Research Article
959
Theoretical prediction of ring structures for ZnS quantum dots
960
Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings
961
Theoretical prediction of state of charge of lithium ion cells
962
Theoretical prediction of structural, elastic and electronic properties of Si-doped TiCuGe intermetallics
963
Theoretical prediction of sulfuric acid condensation rates in boiler flue gas
964
Theoretical prediction of the ArO− anion ZEKE photoelectron spectrum
965
Theoretical prediction of the chemiluminescence behaviour of the ergot alkaloids: Direct flow injection chemiluminescence determination of ergotamine tartrate Original Research Article
966
Theoretical prediction of the elastic, electronic and optical properties of the filled tetrahedral semiconductor α-LiMgSb
967
Theoretical prediction of the electronic excited states and resonance Raman intensities in formamide from coupled cluster calculations
968
Theoretical prediction of the fundamental properties for the ternary Li2PtH6 and Na2PtH6
969
Theoretical prediction of the fundamental properties for the ternary MgYZn and Mg0.9YZn1.06 alloys
970
Theoretical prediction of the Kovatʹs retention index for oxygen-containing organic compounds using novel topological indices Original Research Article
971
Theoretical prediction of the lifetime of the metastable helium compound: HHeF
972
Theoretical prediction of the minimum stirrer speed in mechanically agitated suspensions
973
Theoretical prediction of the native fluorescence of pharmaceuticals
974
Theoretical prediction of the photoinduced chemiluminescence of pesticides
975
Theoretical Prediction of the Size and Lifetime of Evaporating Sneeze Droplets in a Confined Space: A Guideline to Control of COVID-19 Virus Transmission
976
Theoretical prediction of the state–state correlation among doublet state AlSO isomers
977
Theoretical prediction of the state–state correlation among doublet state SNO isomers
978
Theoretical prediction of the structural, elastic, electronic and thermal properties of the MAX phases X2SiC (X = Ti and Cr)
979
Theoretical prediction of the structural, electronic and optical properties of SnB2O4 (B = Mg, Zn, Cd)
980
Theoretical prediction of the structures and properties of cyclic AlS2 and GaS2 systems at density functional theory and all-electron correlation levels
981
Theoretical prediction of the structures and properties of metal sulfide fullerene Sc2S@C80
982
Theoretical prediction of the thermal conductivity and temperature variation inside mars soil analogues
983
Theoretical prediction of thermodynamic properties of tritiated beryllium molecules and application to ITER source term
984
Theoretical prediction of three-dimensionally conjugated novel polymers with excellent mechanical and electric properties: stiffer than diamond!
985
Theoretical prediction on aluminum nitride nanotubes
986
Theoretical prediction on low-lying states of HAlP and HPAl radicals
987
Theoretical prediction on low-lying states of HBP and HPB radicals
988
Theoretical Prediction on Martensitic Transformation Start-Strain of Nitinol
989
Theoretical prediction on the mechanical properties of 3D braided composites using a helix geometry model
990
Theoretical predictions and experimental validations on machining the Nimonic C-263 super alloy
991
Theoretical predictions and experimental verification of surface grain structure evolution for AA6061 during hot rolling Original Research Article
992
Theoretical predictions for occurrence of charge transfer complex within the two synthesized bichromophores considering the role of their spacers in interactions with the π-orbitals of the redox centers
993
Theoretical predictions of arsenic and selenium species under atmospheric conditions
994
Theoretical predictions of electronic materials and their properties
995
Theoretical predictions of residue cross sections for superheavy elements Original Research Article
996
Theoretical predictions of the effective thermodiffusion coefficients in porous media
997
Theoretical predictions of the electronic and optical properties of single and coupled (In,Ga)As/GaAs quantum dots
998
Theoretical predictions of the two-dimensional solid-state NMR spectra: A case study of the 13C–1H correlations in metergoline
999
Theoretical predictions of vibration–rotation–tunneling dynamics of the weakly bound trimer (H2O)2HCl
1000
Theoretical Predictions on Mechanical Properties of Functionally Graded Epoxy/Clay Nanocomposites
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