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1
Theoretical insights on the antioxidant activity of edaravone free radical scavengers derivatives
2
Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes
3
Theoretical interpretation of different nanotube morphologies among Group III (B, Al, Ga) nitrides
4
Theoretical interpretation of optical and EPR spectra and the substitutional site of ferroelectric LiNbO3:Ni2+ crystal
5
Theoretical interpretation of the filtration process in magnetized packed beds
6
Theoretical interpretation of the high-energy electro-absorption spectrum of crystalline fullerene
7
Theoretical interpretation of the infrared lineshape of gaseous propynoic and acrylic acid dimers
8
Theoretical Interpretation of the Luminosity and Spectral Properties of GRB 031203
9
Theoretical interpretation of the optical afterglow of GRB 030329 Original Research Article
10
Theoretical interpretation of the variety of spin gap in high-Tc cuprates
11
Theoretical interpretation of the zero-field splitting parameters for ions in wide-band gap semiconductor single crystal
12
Theoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
13
Theoretical Investigation and Design of Novel Anti-proliferative Agents against Hepatocellular Carcinoma from Benzimidazole-Chalcone derivatives
14
Theoretical Investigation and Optimization of Radiation Thermal Conduction of Thermal-Insulation Polyolefin Foams
15
Theoretical investigation for adsorption of CO2 and CO on MIL-101 compounds with unsaturated metal sites
16
Theoretical Investigation for Neon Doping Effect on the Electronic Structure and Optical Properties of Rutile TiO2 for Photocatalytic Applications by Ab Initio Calculations
17
Theoretical investigation for the hydrogen bond interaction in THF–water complex
18
Theoretical investigation for the mediated activation of the C–CN in CH3CN by Zr atom in the gas phase
19
Theoretical investigation for the reaction of N2O with CO catalyzed by MO+ (M = Ru, Os)
20
Theoretical investigation for the reaction of NO2 with CO catalyzed by Sc+
21
Theoretical investigation for two cascaded SPR fiber optic sensors
22
Theoretical investigation into condensation heat transfer on horizontal elliptical tube in stationary saturated vapor with wall suction
23
Theoretical Investigation into Spectral Coexistence of CDMA and TDMA Systems
24
Theoretical investigation into the likely reaction mechanisms of benzyl alcohol with dimethyl carbonate over a faujasite zeolite catalyst
25
Theoretical investigation of (−)1-(Benzofuran-2-yl)-2-propylaminopentane [(−)-BPAP] as a hydroxyl radical scavenger Original Research Article
26
Theoretical investigation of [5,5], [9,0] and [10,10] closed SWCNTs
27
Theoretical investigation of {1 1 0} generalized stacking faults and their relation to dislocation behavior in perovskite oxides Original Research Article
28
Theoretical investigation of 1,10-bi-2-naphthol isomerization
29
Theoretical investigation of 1,3-butanediol adsorption on an oxygen-defected CeO2(111) surface
30
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
31
Theoretical investigation of 8 *10-Gb/s WDM signal transmission performance based on gain-equalized SOAs using backward Raman pumping at DCF
32
Theoretical investigation of à 2Σg+–X 2Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation Origina
33
Theoretical investigation of a first wall fabrication process
34
Theoretical investigation of a humidification-dehumidification desalination system configured by a double-pass flat plate solar air heater Original Research Article
35
Theoretical investigation of a reported antibiotic from the “Miracle Tree” Moringa oleifera
36
Theoretical investigation of a single erbium center in hexagonal gallium nitride
37
THEORETICAL INVESTIGATION OF A SOLAR AIR HEATER ROUGHENED BY RIBS and GROOVES
38
Theoretical Investigation of a Time-Suboptimal Control Method for Rotational Motions of Industrial Manipulators End-Effectors
39
Theoretical investigation of a waveguide application in a FEL with large μc
40
Theoretical investigation of absorption spectrum of SO2 molecule: Including S1–S2 vibronic coupling
41
Theoretical investigation of adiabatic capillary tubes working with propane/n-butane/iso-butane blends
42
Theoretical investigation of adsorption and dissociation of H2 on (ZrO2)n (n=1–6) clusters
43
Theoretical Investigation of Amantadine Adsorption on Sc-, Ti-, and Zn-Boron Nitride Nanosheets: DFT, NBO, and QTAIM
44
Theoretical investigation of an all-organic molecular transistor
45
Theoretical Investigation of an Eddy-Viscosity-Type Expression of the Reynolds Stress with Low-Reynolds-Number Effect
46
Theoretical investigation of an optical fiber amplifier loop for intra-cavity and ring-down cavity gas sensing
47
Theoretical investigation of anomalous diffusion in a random lattice
48
Theoretical investigation of aromatics production enhancement in thermal coupling of naphtha reforming and hydrodealkylation of toluene
49
Theoretical investigation of assembled (CdTe)12×N (N = 1–5) multi-cage nanochains
50
Theoretical Investigation of Axial and Local Particle Size Distribution on Expanded Bed Adsorption Process
51
Theoretical investigation of band gap and optical properties of ZnO1−xTex alloys (x = 0, 0.25, 0.5, 0.75 and 1)
52
Theoretical investigation of C60 fullerene functionalization with tetrazine
53
Theoretical investigation of catalytic HCO3- hydrogenation in aqueous solutions
54
Theoretical investigation of C–H⋯H–B dihydrogen bonded complexes of acetylenes with borane-trimethylamine
55
Theoretical investigation of charge transfer to solvent in photoexcited iodide–acetonitrile clusters
56
Theoretical investigation of cis-nitric oxide dimer with hybrid density functional theory methods
57
Theoretical investigation of CO adsorption on TM-doped (MgO)12 (TM = Ni, Pd, Pt) nanotubes
58
Theoretical investigation of CO2 and NO2 adsorption onto Co-, Rh- and Ir-doped (5,5) single-walled carbon nanotubes
59
Theoretical investigation of collision induced dissociation in He + Na2 Original Research Article
60
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
61
Theoretical Investigation of Consumption Patterns Effect on Optimal Orientation of Collector in Solar Water Heating System
62
Theoretical investigation of Cottrell atmosphere in silicon
63
Theoretical investigation of Cu-containing materials with different valence structure types: BaCu2S2, Li2CuSb, and LiCuS Original Research Article
64
Theoretical investigation of cyclooxygenase inhibition property of several non-steroidal anti-inflammatory drugs by density functional theory calculations and molecular docking studies
65
Theoretical investigation of dielectric corona pre-ionization TEA nitrogen laser based on transmission line method
66
Theoretical investigation of diffusion along columns packed with fully and superficially porous particles
67
Theoretical investigation of disorder effect on positron states in GaxIn1__xAsySb1 __y/GaSb
68
Theoretical Investigation of Doping Concentration in Silicon Semiconductor Using Optical Principle
69
Theoretical Investigation of Doping Effect of Fe for SnWO4 in Electronic Structure and Optical Properties: DFT Based First Principle Study
70
Theoretical investigation of effects of light fuel fumigation on diesel engine performance and emissions
71
THEORETICAL INVESTIGATION OF EGYPT CLIMATE CONDITIONS ON THE PERFORMANCE OF PEM FUEL CELL
72
Theoretical investigation of electroluminescent alkoxy substituted 4,4′-bis(2-phenylethenyl)biphenyls as guest in blue OLEDs
73
Theoretical investigation of electronic and optical properties of andalusite within density functional theory
74
Theoretical investigation of electronic structure and field emission properties of carbon nanotube–ZnO nanocontacts Original Research Article
75
Theoretical investigation of electronic structure and optical properties of paramagnetic non-oxide perovskite AlCNi3
76
Theoretical investigation of electronic structure and spectroscopic properties of functionalized bis-silicon-bridged stilbene homologue
77
Theoretical investigation of electronic structure of PbSxTe1−x and PbSexTe1−x alloys
78
Theoretical investigation of electronic structure, elastic and thermodynamic properties of chalcopyrite CdSiP2
79
Theoretical investigation of electronic structures and excitation energies of hexaphyrin and its group 11 transition metal (III) complexes
80
Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
81
Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
82
Theoretical investigation of electronic, optical and photovoltaic properties of alkylamine-based organic dyes as sensitizers for application in DSSCs
83
Theoretical investigation of electro-osmotic flows and chaotic stirring in rectangular cavities
84
Theoretical investigation of encapsulation of the two azomethine derivatives into BN(6,6-8) nanotube: a DFT study
85
Theoretical investigation of engine thermal efficiency, adiabatic flame temperature, NOx emission and combustion-related parameters for different oxygenated fuels
86
Theoretical investigation of EPR and molecular orbital coefficient parameters for [Cu(hsm)2(sac)2] complex
87
Theoretical investigation of EPR parameters for two trigonal Yb3+ centers in LiNbO3 and LiNbO3:MgO crystals Original Research Article
88
Theoretical investigation of equilibrium and transition state structures, binding energies and barrier heights of water-encapsulated open-cage [59]fullerenone complexes
89
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
90
Theoretical investigation of ethylene/1-butene copolymerization process using constrained geometry catalyst (CpSiH2NH)-Ti-Cl2
91
Theoretical investigation of flame propagation process in an SI engine running on gasoline–ethanol blends
92
Theoretical investigation of fullerene nano carrier anti-cancer drug delivery of Azacitidine
93
Theoretical investigation of gas separation inside a microchannel by thermal diffusion
94
Theoretical investigation of heat balance in direct injection (DI) diesel engines for neat diesel fuel and gasoline fumigation
95
Theoretical investigation of hydrodynamic surface mode in a lined duct with sheared flow and comparison with experiment
96
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
97
Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
98
Theoretical investigation of InAs/GaInSb type-II superlattice infrared detectors for long wavelength and very long wavelength infrared applications
99
Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds
100
Theoretical investigation of interaction between a rectangular plate and fractional viscoelastic foundation
101
Theoretical investigation of interaction between Gatifloxacin and DNA: Implications for anticancer drug design
102
Theoretical investigation of interaction between psoralen and altretamine with stacked DNA base pairs
103
Theoretical investigation of intersubband transition energies and oscillator strength in CdS/SiO2 quantum dots
104
Theoretical investigation of intersubband transition in AlxGa1−xN/GaN/AlyGa1−yN step quantum well
105
Theoretical investigation of inter-surface diffusion on non-planar GaAs surfaces
106
Theoretical investigation of LaCn+ (n=2–8) clusters
107
Theoretical investigation of Lamb wave A0 mode in thin SiC/AlN membranes for sensing application in liquid media
108
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
109
Theoretical investigation of local electron temperature in quantum Hall systems
110
Theoretical investigation of local proton conductance in the proton exchange membranes
111
Theoretical investigation of local structure distortion and absorption spectra for tetragonal Cr2+ ion in ZnSe:Cr2+ system
112
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)
113
Theoretical investigation of Malva sylvestris L. in point of Nano Bio Technology
114
Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)
115
Theoretical investigation of metal-molecule interface with terminal groups
116
Theoretical investigation of metal-molecule interface with terminal groups
117
Theoretical investigation of mixed-ligand lanthanocene complexes, (η5-C5H5)2LnX · OC4H8 (Ln=La, Gd, Lu; X=F, Cl, Br, I)
118
Theoretical investigation of Mn adsorbates aside self-organised Bi nanolines on hydrogenated Si(0 0 1) surface
119
Theoretical investigation of moderate misfit and interface energetics in the Fe/VN system
120
Theoretical investigation of molecular hydrogen adsorption and dissociation on AlnV(n = 1–13) clusters
121
Theoretical investigation of nerve agent DMMP adsorption onto Stone–Wales defected single-walled carbon nanotube
122
Theoretical investigation of new MgS-ZnSe structures
123
Theoretical investigation of new MgS-ZnSe structures
124
Theoretical investigation of nitrogen-containing polyisothianaphthene derivatives
125
Theoretical investigation of nitrogen-linked poly(2,7-carbazole)s as hole-transport materials for organic light emitting diodes
126
Theoretical investigation of novel phenothiazine-based D–π–A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells
127
Theoretical investigation of OCN− adsorption onto boron nitride nanotubes
128
Theoretical investigation of ozone production in negative corona discharge
129
Theoretical investigation of phase transformations and molecular surface properties of polycyclic saturated hydrocarbon isomers of JP-10
130
Theoretical investigation of phase transition on GaAs(0 0 1)-c(4 4) surface
131
Theoretical investigation of phonon-polariton modes in undoped and ion-doped PPLN crystals
132
Theoretical investigation of plasma immersion ion implantation of cylindrical bore using hollow cathode plasma discharge
133
Theoretical investigation of polyhedral hydrocarbons (CH)n
134
Theoretical investigation of polymers near surface of various molecular weights, architecture and external parameters by mean-field variable-density model
135
Theoretical investigation of pore-scale mechanisms of carbonated water injection
136
Theoretical investigation of potential energy curves and radiative lifetimes of low-lying electronic states in GeH+ radical cation
137
Theoretical investigation of pressure losses in cyclone separators
138
Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane
139
THEORETICAL INVESTIGATION OF RECTANGULAR PATCH ANTENNA MINIATURIZATION BASED ON THE DPS-ENG BI-LAYER SUPER-SLOW TM WAVE
140
Theoretical investigation of redox species in condensed phase
141
Theoretical investigation of redox species in condensed phase
142
Theoretical Investigation Of Renewable Energy Data For Northern Parts India
143
Theoretical Investigation of Second-Order Nonlinear Optical Properties of Substituted Benzothiazole Derivatives
144
Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite Original Research Article
145
Theoretical investigation of solar humidification–dehumidification desalination system using parabolic trough concentrators
146
Theoretical investigation of stable dropwise condensation heat transfer on a horizontal tube
147
Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid
148
Theoretical investigation of stokes shift of 3,4-diaryl-substituted maleimide fluorophores
149
Theoretical investigation of s-triazine derivatives as novel second-order nonlinear optical chromophores
150
Theoretical investigation of structural and electronic properties of wurtzite image clusters Original Research Article
151
Theoretical investigation of structural stability and lattice vibrations of U6Fe16Si7 and its interstitial carbide U6Fe16Si7C
152
Theoretical investigation of structures, electronic spectra and nonlinear optical properties of gold-pentacene (Au2C22H14) complexes
153
Theoretical Investigation of Superconducting State Parameters of Binary Metallic Glasses Cu1−cSnc
154
Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases
155
Theoretical investigation of tetra-substituted pyrenes for organic light emitting diodes
156
Theoretical investigation of tetra-substituted pyrenes for organic light emitting diodes
157
Theoretical investigation of the Al–Cr–B orthorhombic ternary compounds
158
Theoretical investigation of the anomalous equilibrium fractionation of multiple sulfur isotopes during adsorption
159
Theoretical investigation of the Ar+(J) + H2 → ArH+ + H reaction: semiclassical coupled wavepacket treatment Original Research Article
160
Theoretical investigation of the Au/Si(1 1 1)-(5 × 2) surface structure
161
Theoretical investigation of the Auger and photoion-yield spectra resulting from 3d photoionization or 3d→4f excitation of atomic Eu
162
Theoretical investigation of the Auger and photoion-yield spectra resulting from 3d photoionization or 3d-4f excitation of atomic Eu
163
Theoretical investigation of the behavior of an acoustic metamaterial with extreme Youngʹs modulus
164
Theoretical investigation of the bonding properties of N-heterocyclic carbenes coordinated to electron-rich d8 metal centers
165
Theoretical investigation of the Ca+–N2 and Ca2+–N2 complexes
166
Theoretical investigation of the chemical bonds in metal chelates as emitting material for OLED
167
Theoretical investigation of the chemical structure and vibrational signature at the aluminum-polythiophene interface
168
Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin
169
Theoretical investigation of the conducting properties of substituted phosphole oligomers
170
Theoretical investigation of the conduction and valence band offsets of GaAs1 x Nx/GaAs1 yNy heterointerfaces
171
Theoretical investigation of the conformation and hydrogen bonding ability of 5-arylazosalicylaldoximes
172
Theoretical investigation of the conventional CX1X2− (X1, X2 = H, F, Cl, Br, and I) compounds
173
Theoretical investigation of the Cu EOS standard Original Research Article
174
Theoretical investigation of the dissociative interchange (Id) mechanism for water exchange on magnesium(II) in aqueous solution
175
Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols
176
Theoretical investigation of the effect of plasticity on crack growth along a functionally graded region between dissimilar elastic–plastic solids
177
Theoretical investigation of the effect of rotational excitation on the stereodynamics of the reaction
178
Theoretical investigation of the effect of the solvent, hydrogen bond and amino group on the isomerization of Rhodamines
179
Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−xGax) alloy Original Research Article
180
Theoretical investigation of the effects of field margin and hedges on crop yields
181
Theoretical investigation of the elastic, thermodynamic, electronic and magnetic properties of PrNi2Si2 and PrNi2Ge2
182
Theoretical investigation of the electron velocity in quantum Hall bars, in the out of linear response regime
183
Theoretical investigation of the electronic and optical properties of oligothiophenes upon methyl, thiol, and thiomethyl substitutions
184
Theoretical investigation of the electronic structure of 1-(3,4; 3,5 and 3,6-bis-selenocyanato-phenyl) pyrrolidinofullerenes
185
Theoretical investigation of the enhanced solubility of perfluorobenzene in the supercritical carbon dioxide as a function of temperature and density by Monte Carlo simulation
186
Theoretical investigation of the field conditions in a vibrating reverberation chamber with an unstirred component
187
Theoretical investigation of the first hyperpolarizability redox-switching in a ruthenium complex
188
Theoretical investigation of the formation of five-membered metallacycles by reaction of CO with metallacyclobutenones: differences between Ni and Pt
189
Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites
190
Theoretical Investigation of the gas-phase reactions of (CF3)2CHOCH3 with OH Radical
191
Theoretical investigation of the ground and excited state of silylated coumarin
192
Theoretical investigation of the growth rate of carbon nanotubes in chemical vapor deposition
193
Theoretical investigation of the hetero-junction effect in PVP-stabilized Au13 clusters. The role of PVP in their catalytic activities
194
Theoretical investigation of the hydrogen bonding interaction between substituted phenols and simple O- and N-bases
195
Theoretical Investigation of the Imprinting Efficiency of Molecularly Imprinted Polymers
196
Theoretical investigation of the influence of isotope mass on chemicurrents during adsorption of H on K(110)
197
Theoretical investigation of the interaction between glycine amino acid and fullerenes
198
Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method
199
Theoretical investigation of the interaction of oxygen with pure and K-doped NiTi shape memory surface alloys Original Research Article
200
Theoretical investigation of the intrinsic piezoelectric properties for tetragonal BaTiO3 epitaxial films
201
Theoretical investigation of the inversion parameter in Co3 − sAlsO4 (s = 0–3) spinel structures
202
Theoretical investigation of the island formation on a hydrogen-terminated Si 001/ surface
203
Theoretical investigation of the lattice dynamics of GaAlSb superlattices
204
Theoretical investigation of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes
205
Theoretical investigation of the luminescence centres in PbWO4 and CdWO4 crystals
206
Theoretical investigation of the luminescence centres in PbWO4 and CdWO4 crystals
207
Theoretical investigation of the mechanism and kinetics for HCO + HCN ⇄ HCHO + CN
208
Theoretical investigation of the mechanism of the reaction IO + NO → I + NO2
209
Theoretical investigation of the mechanisms of the biphenyl formation in Ni-catalyzed reductive cross-coupling system
210
Theoretical investigation of the mechanisms of the biphenyl formation in Ni-catalyzed reductive cross-coupling system
211
Theoretical investigation of the monomer reactivity in polyindole derivatives
212
Theoretical investigation of the MTC noise estimate in 1-D homogeneous systems
213
Theoretical investigation of the nature of the ground state in the low-bandgap conjugated polymer, poly(3,4-ethylenedioxythiophene)
214
Theoretical investigation of the nonlinear optical properties of substituted anilines and N,N-dimethylanilines
215
Theoretical investigation of the off-axis z-scan technique for nonlinear optical refraction measurement
216
Theoretical investigation of the one-photon and two-photon absorption properties for star-shaped polycyclic aromatic based on oligothiophenes-functionalized truxene
217
Theoretical investigation of the origin of the large non-linear optical response in acceptor-substituted carotenoids
218
Theoretical investigation of the p + He → H + He+ and p + He → H + He++ + e reactions at very small scattering angles of hydrogen
219
Theoretical investigation of the performance of a novel loop heat pipe solar water heating system for use in Beijing, China
220
Theoretical investigation of the phase behaviour of mixtures of a novel family of perfluoroalkyl–polyoxyethylene ether diblock surfactants in aqueous solutions of carbon dioxide
221
Theoretical investigation of the photodissociation dynamics by the decay of a non-dissociative excited state: application to core-excited N2
222
Theoretical investigation of the photosensitization mechanisms of urocanic acid
223
Theoretical investigation of the potential energy surfaces for the O(1D)+N2O reaction
224
Theoretical investigation of the pressure dependences of energy gaps in InAs and InSb
225
Theoretical investigation of the pressure dependences of energy gaps in InAs and InSb
226
Theoretical investigation of the pressure induced cubic-diamond-β-tin phase transition in the Si0.5Ge0.5
227
Theoretical investigation of the proton effect on electropolymerization of aniline
228
Theoretical investigation of the Pt3Al ground state
229
Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol
230
Theoretical investigation of the reactions of O(3P) with CH3F and CH2F2 Original Research Article
231
Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase
232
Theoretical investigation of the reflectivity of fullerene-(C60, C70)/AlN multilayers in UV region
233
Theoretical investigation of the resonant hyper-Raman scattering by optical phonons
234
Theoretical investigation of the role of the RANK–RANKL–OPG system in bone remodeling
235
Theoretical investigation of the role of π–π interactions for the stability of phenylene ethynylene aggregates Original Research Article
236
Theoretical investigation of the scope of sequential ligand tuning using a bifunctional scorpionate tris(1,2,4-triazolyl)borate-based architecture
237
Theoretical investigation of the second-order nonlinear optical properties of calix[4]arene molecules
238
Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes
239
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
240
Theoretical investigation of the static (hyper)polarizabilities and reorganization energy of 4,5-dicyanoimidazole chromophore and derivatives containing benzene rings and a saturated bridge
241
Theoretical investigation of the structure and conformational behaviour of small selenophene oligomers
242
Theoretical investigation of the substituent effect on the electronic and optical properties of photochromic dithienylethene derivatives
243
Theoretical investigation of the substituent effects in the conformational isomerism of bromoalkoxycyclohexanes
244
Theoretical investigation of the system SnOx/Sn for the thermochemical storage of solar energy
245
Theoretical investigation of the thermochemistry of hydrofluoroethers
246
Theoretical investigation of the thickness effect of ferroelectric incorporating semiconducting properties
247
Theoretical investigation of the torsional spectra of 2,2,2-trifluoroethanol Original Research Article
248
Theoretical investigation of the vibrational dynamics of Ag+CO solvated in the Ne matrix
249
Theoretical investigation of the XHgXeX and HHgXeX (X = F, Cl, Br) compounds
250
Theoretical investigation of the β value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals
251
Theoretical investigation of thermal activation of methane by [Pd(H)(OH)]+
252
Theoretical investigation of thermally and photochemically induced haptotropic rearrangements of chromium ligands on naphthalene systems
253
Theoretical investigation of thermally induced coalescence mechanism of single-wall carbon nanohorns and their mechanical properties
254
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
255
Theoretical investigation of thunderstorm induced enhancements of cosmic ray fluxes
256
Theoretical Investigation of Time Suboptimal Control of Industrial Manipulators Along Specified Paths
257
Theoretical investigation of transfer-loss process in 0.2–2 MeV/u collisions of O5+ ions with H2 and He targets
258
Theoretical investigation of typical fcc precipitates in Mg-based alloys Original Research Article
259
Theoretical investigation of UV photoelectron spectra of pyridine compound molecules
260
Theoretical investigation of van der Waals forces between solid surfaces at nanoscales
261
Theoretical Investigation of Viscosity and Thermal Conductivity of a Gas along a Non-isothermal Vertical Surface in Porous Environment with Dissipative Heat: Numerical Technique
262
Theoretical investigation of wear-resistance mechanism of superelastic shape memory alloy NiTi
263
Theoretical investigation of X-ray radiation of 4–4 transitions in highly charged tungsten ions
264
Theoretical investigation of X-ray radiation of 4–4 transitions in highly charged tungsten ions
265
Theoretical investigation of zero-field splitting and local structure distortion for a substitution of Fe3+ ion in CdCl2 crystal Original Research Article
266
Theoretical investigation on 3rd harmonic voltage in inductive measurements of critical current density in superconducting films
267
Theoretical investigation on antioxidant activity of vitamins and phenolic acids for designing a novel antioxidant
268
Theoretical investigation on atmospheric reaction of atomic O(3P) with acrylonitrile
269
Theoretical investigation on BaTiO3 with periodic density functional theory BLYP method Original Research Article
270
Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra
271
Theoretical investigation on charge transport parameters of two novel heterotetracenes as ambipolar organic semiconductors
272
Theoretical investigation on CO2 absorption into DEAB solution using hollow fiber membrane contactors
273
Theoretical investigation on compressibility, electronic and thermodynamic properties of single crystal PtAs2 under high pressure
274
Theoretical investigation on degradation behaviors of spectral properties of thermal control coatings induced by charged particles
275
Theoretical investigation on different effects of nitrogen and boron substitutional impurities on the structures and field emission properties for carbon nanotubes
276
Theoretical investigation on electronic properties of topological materials: Mِbius nanographite and conjugated polymers
277
Theoretical investigation on electronic structure and mechanical properties of cubic crystallographic structures with point defects in Al-based alloys
278
Theoretical investigation on H2 elimination reactions of germylenoid H2GeLiF with RH (R = F, OH, and NH2)
279
Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin
280
Theoretical investigation on intramolecular electron transfer in polypeptides
281
Theoretical investigation on mechanisms and kinetics of the reactions of Cl atom with CH3OOH and CH3CH2OOH
282
Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method
283
Theoretical investigation on organolanthanide guanidinate complexes
284
Theoretical investigation on photochromic diarylethene: A short review
285
Theoretical investigation on photophysical properties for 2,7-carbazole derivatives as solar cells materials: Effect of substitution
286
Theoretical investigation on possible mechanisms on regioselective formation of (η3-siloxyallyl)tungsten complexes
287
Theoretical investigation on proton transfer mechanism of hydrated melamine
288
Theoretical investigation on proton-induced intramolecular charge transfer of a D-π-A dye for a pH molecular switch
289
Theoretical investigation on pyrolysis mechanism of glycerol
290
Theoretical investigation on quinoline-based platinum (II) complexes as efficient singlet oxygen photosensitizers in photodynamic therapy
291
Theoretical investigation on r.f. current drive in reversed-field pinch plasma
292
Theoretical investigation on second-order nonlinear optical properties of (dicyanomethylene)-pyran derivatives
293
Theoretical investigation on spin-polarized junctions with 4-valued conductances: application to carbon nanotube encapsulating magnetic atoms
294
Theoretical investigation on structural properties of ethylene clusters (C2H4)n (n ⩽ 25)
295
Theoretical investigation on structural stability of InN thin films on 3C–SiC(0 0 1)
296
Theoretical investigation on structures and isomerizations of the aluminum chlorogermylenoid H2GeClAlCl2
297
Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg–Teller effect
298
Theoretical investigation on temperature and pressure dependence of structural stability of InP thin layers grown on InP(111)A surface
299
Theoretical investigation on the 1H and 13C chemical shifts of TRODAT-1 compound with density functional theory and Hartree-Fock computational methods
300
Theoretical investigation on the absorption enhancement of the crystalline silicon solar cells by pyramid texture coated with SiNx:H layer
301
Theoretical investigation on the antioxidant behavior of chrysoeriol and hispidulin flavonoid compounds – A DFT study
302
Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with Sdonor Biomolecules and DNA Purine Bases
303
Theoretical investigation on the aromaticity of mono-substituted benzene derivatives by using cyclic reference
304
Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method
305
Theoretical investigation on the cylinder-shaped N66 cage
306
Theoretical investigation on the cylinder-shaped N84 cage
307
Theoretical investigation on the dimple occurrence in the thermal EHL of simple sliding steel–glass circular contacts
308
Theoretical investigation on the dynamic performance of CMUT for design optimization
309
Theoretical investigation on the effects of π-conjugation attenuation of poly(p-phenylenevinylene) polymers upon incorporating 2,2′-bipyridines
310
Theoretical investigation on the electronic and charge transport characteristics of push–pull molecules for organic photovoltaic cells
311
Theoretical investigation on the electronic and charge transport characteristics of push–pull molecules for organic photovoltaic cells
312
Theoretical investigation on the electronic and optical properties of diarylfluorene-based π-stacked molecules as supramolecular semiconductors
313
Theoretical investigation on the electronic states localized at grain boundaries in semiconductors
314
Theoretical investigation on the electronic structures and phosphorescent properties of a series of Ir(III) complexes with the diphenyl(1-naphthyl)phosphine ancillary ligand
315
Theoretical investigation on the electronic structures and phosphorescent properties of seven iridium(III) complexes with the different substituted 2-phenylpyridinato ancillary ligand
316
Theoretical investigation on the encapsulation of atomic hydrogen into heterofullerene nanocages
317
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
318
Theoretical investigation on the first hyperpolarizability of push–pull polyenes containing non-aromatic cyclic olefines
319
Theoretical investigation on the ground- and excited-state properties of novel octupolar oligothiophene-functionalized truxenes and dipolar analogs
320
Theoretical investigation on the interactions between borazine and first-row hydrides
321
Theoretical investigation on the liquid junction potential in a slit-like microchannel
322
Theoretical investigation on the magnetic and electronic properties of La2NiIrO6
323
Theoretical investigation on the magnetocaloric effect in MnAs using a microscopic model to describe the magnetic and thermal hysteresis
324
Theoretical investigation on the mechanism and kinetics of OH radical with m-xylene
325
Theoretical investigation on the mechanism of surface temperature non-uniformity formation in spray cooling
326
Theoretical investigation on the mechanisms of transfer hydrogenation of ketones catalyzed by iridium complexes
327
Theoretical investigation on the model active site for isotactic polypropylene in heterogeneous Ziegler–Natta catalyst: A density functional study
328
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)
329
Theoretical investigation on the oligothienoacenes under the influence of external electric field Original Research Article
330
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
331
Theoretical investigation on the one- and two-photon absorption properties of multi-branched oligomers with truxenone center and fluorene branches
332
Theoretical investigation on the performance prediction of solar still
333
Theoretical investigation on the photophysical properties of low-band-gap copolymers for photovoltaic devices
334
Theoretical investigation on the polarizability and second hyperpolarizability of polysilole
335
Theoretical investigation on the polyaddition of A2 and CB2 monomers with non-equal reactivity
336
Theoretical investigation on the potential energy surface for the reactions of B, Al and Ga with NO Original Research Article
337
Theoretical investigation on the Pt(ІІ)-catalyzed [3+2] cycloaddition reactions of propargyl ether derivatives with n-butyl vinyl ether
338
Theoretical investigation on the Pt(ІІ)-catalyzed tandem migration reactions of propargylic carboxylates
339
Theoretical investigation on the reaction mechanism of aryl alcohols and p-Toluenesulfonylmethyl isocyanide catalyzed by InCl3
340
Theoretical investigation on the reaction of adhesion unit dopa in mussel with electrolyzing seawater
341
Theoretical investigation on the reaction of ionized water with ethylene
342
Theoretical investigation on the reaction of N2O and CO catalyzed by PtO+
343
Theoretical investigation on the regioselectivity of Ni(COD)2-catalyzed [2 + 2 + 2] cycloaddition of unsymmetric diynes and CO2
344
Theoretical investigation on the regioselectivity of Ni(COD)2-catalyzed [2 + 2 + 2] cycloaddition of unsymmetric diynes and CO2
345
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
346
Theoretical investigation on the saturated hydrides of F5F7–C60 with in-out isomerism
347
Theoretical investigation on the Schelling’s critical neighborhood demand
348
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
349
Theoretical investigation on the structural stability of GaAs nanowires with two different types of facets
350
Theoretical investigation on the structural stability of GaP nanowires with image facets
351
Theoretical investigation on the structure and electronic properties of barium titanate
352
Theoretical investigation on the structure, stability and superhalogen properties of OsFn (n = 1–7) species
353
Theoretical investigation on the structures of silicon and carbon hetero clusters
354
Theoretical investigation on the transition-metal borides with Ta3B4-type structure: A class of hard and refractory materials
355
Theoretical investigation on the use of high permittivity materials in microstrip aperture stacked patch antennas
356
Theoretical investigation on the vibrational and electronic spectra of three isomeric forms of dicobalt octacarbonyl
357
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission
358
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission (Part II)
359
Theoretical investigation on two-dimensional molecule-based second-order nonlinear optical materials of the disubstituted o-carborane derivatives
360
Theoretical investigation on wireless vibration control of thin beams using photostrictive actuators
361
Theoretical Investigation to Corrosion Inhibition Efficiency of Some Chloroquine Derivatives Using Density Functional Theory
362
Theoretical investigations for surface plasmon resonance based optical fiber tip sensor
363
Theoretical investigations for zinc blende–wurtzite polytypism in GaAs layers at Au/GaAs(1 1 1) interfaces
364
Theoretical Investigations into the Structural and Electronic Influences on the Hydrogen Bonding in Doped Polyaniline
365
Theoretical investigations of 13C chemical shifts in glucose, cellobiose, and native cellulose by quantum chemistry calculations
366
Theoretical investigations of a novel microfluidic cooling/warming system for cell vitrification cryopreservation
367
Theoretical investigations of adatom adsorptions on the As-stabilized GaAs(1 1 1)A surface
368
Theoretical investigations of adatom behavior on non-planar surfaces with GaAs(n 1 1)A
369
Theoretical investigations of adsorption of fluorine atoms on the Si(001) surface
370
Theoretical investigations of elastic and thermodynamic properties of hexagonal Re3N
371
Theoretical investigations of epitaxial strain effects in ferroelectric oxide thin films and superlattices
372
Theoretical investigations of EPR g factors for Ce3+ ion at monoclinic Cs site in YAlO3 crystal
373
Theoretical investigations of EPR parameters and local structure of single erbium center in hexagonal GaN layers
374
Theoretical investigations of free radicals and negative molecular ions and their calculated photoelectron spectra
375
Theoretical investigations of interstitial atoms in bcc metals: Local lattice distortion and diffusion barrier
376
Theoretical investigations of nanopatterning on the Au(1 1 1) surface
377
Theoretical investigations of NiTiSn and CoVSn compounds Review Article
378
Theoretical investigations of NMR chemical shieldings on the AlPON catalyst system
379
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
380
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
381
Theoretical investigations of nonlinear loads on gear teeth in single gear transmission
382
Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory
383
Theoretical investigations of oligo(phenylene ethylene) molecular wire: Effects from substituents and external electric field
384
Theoretical investigations of optical properties of l-arginine trifluoroacetate crystal
385
Theoretical investigations of physical properties of AlxScyB1−x−yN quaternary alloys
386
Theoretical investigations of Pt3X (X = Al, Sc, Hf, Zr) ground state
387
Theoretical investigations of spectroscopy and excited state dynamics of adenine
388
Theoretical investigations of spin–orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+
389
Theoretical investigations of stable growth sites on GaAs(001) surfaces
390
Theoretical investigations of structural, elastic, electronic and thermal properties of Damiaoite PtIn2
391
Theoretical investigations of substitution site and local structure distortion for tetragonal Cr2+ ion in AgGaSe2:Cr2+ compound
392
Theoretical investigations of the C–H⋯N interactions and molecular electrostatic potentials: aza derivatives of cubane
393
Theoretical investigations of the charge transfer characteristics in dichlorotitanium phthalocyanine (TiCl2Pc) and tin phthalocyanine (SnPc)
394
Theoretical investigations of the chromatographic separation of interacting enantiomers
395
Theoretical investigations of the electronic and magnetic structures for the [CoCl4]2− cluster in Cs3CoCl5 crystal
396
Theoretical investigations of the electronic and optical properties of wurtzite and metastable rock-salt ZnO
397
Theoretical investigations of the excited-state intramolecular proton transfer reaction in N-substituted-3-hydroxypyridinones Original Research Article
398
Theoretical investigations of the gas-phase pre-reactive complexes of oxirane with HF, HCl, F2 and ClF
399
Theoretical investigations of the influence of phosphine ligands on the structure of the compounds [Cu12S6(PR3)8]
400
Theoretical investigations of the interaction of silver trimer with ethylene molecule
401
Theoretical investigations of the Jahn–Teller distortions for V3+ and Cr4+ in α-Al2O3
402
Theoretical investigations of the physical properties of tetragonal CaSiO3 perovskite
403
Theoretical investigations of the physical properties of zircon-type YVO4
404
Theoretical investigations of the proton transfer reaction in hydrogen-bonded complexes of cytosine with HNO
405
Theoretical investigations of the structures and properties of molybdenum-based sulfide catalysts Review Article
406
Theoretical investigations of the UV spectra of coumarin derivatives
407
Theoretical investigations of the γ-gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculations
408
Theoretical investigations of transport through a Kondo dot with a side-coupled noninteracting quantum-dot array
409
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
410
Theoretical Investigations of Vibrational – Rotational Energy of some Hydrogen Halide Molecules
411
Theoretical investigations of β-trimethylsilyl-substituted iminium ions
412
Theoretical investigations on CH2CH–CH2OH on the Si(1 0 0)-2 × 1 and Ge(1 0 0)-2 × 1 surfaces
413
Theoretical investigations on electronic and charge transport properties of novel organic semiconductors – Triisopropylsilylethynyl(TIPS)-functionalized anthradifuran and anthradithiophene derivatives
414
Theoretical investigations on kinetics, mechanism and thermochemistry of the gas phase reactions of CHF2OCF2CHF2 with OH radicals
415
Theoretical investigations on maleimide and its indolyl derivatives: Rational drug design approach for PKCβII inhibitors
416
Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study
417
Theoretical investigations on multiple-reflection and Rayleigh absorption–emission–scattering effects in laser drilling
418
Theoretical investigations on R(O)nS–NO (n=0,1,2) systems
419
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
420
Theoretical investigations on structural, electronic, and magnetic properties of TM2Np2 (Np = Naphthalene, TM = Sc–Ni) sandwich clusters
421
Theoretical investigations on structure, electrostatic potentials and vibrational frequencies of diglyme and Li+–(diglyme) conformers
422
Theoretical investigations on the 3d94p−3d10 spectrum of CuII
423
Theoretical investigations on the electronic and optical characteristics of fused-ring homopolymers: Comparison of oligomer method and PBC−DFT method
424
Theoretical investigations on the formation of wurtzite segments in group III–V semiconductor nanowires
425
Theoretical investigations on the functionalization of carbon nanotubes Review Article
426
Theoretical investigations on the high light yield of the LuI3:Ce scintillator
427
Theoretical investigations on the kinetics of p-cymene + OH reaction
428
Theoretical investigations on the mechanism of chalcogens exchange reaction between P(V) and P(III) compounds
429
Theoretical investigations on the modified integer round-up property for the one-dimensional cutting stock problem
430
Theoretical investigations on the modulation of the polymer electronic and optical properties by introduction of phenoxazine
431
Theoretical investigations on the orientational dependence of electron transport through porphyrin molecular wire
432
Theoretical investigations on the performance of an externally adjustable fluid-film bearing including misalignment and turbulence effects
433
Theoretical investigations on the potential-induced formation of Pt-oxide surfaces
434
Theoretical investigations on the reaction kinetics of CH3OCl/CD3OCl with chloride ion
435
Theoretical Investigations on the Separation of Medetomidine Enantiomers
436
Theoretical investigations on the SO2 + HO2 reaction and the SO2–HO2 radical complex
437
Theoretical investigations on the structural, lattice dynamical and thermodynamic properties of XC (X=Si, Ge, Sn)
438
Theoretical investigations on the structure and relative stabilities of the tautomeric forms of 6-amino-5-nitrosouracil and violuric acid derivatives (PM3-COSMO calculation)
439
Theoretical investigations on the vibronic coupling between the electronic states S0 and S1 of formic acid including the photodissociation at 248 nm
440
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules
441
Theoretical Investigations on Thermal Light Emission From Metallic Carbon Nanotubes
442
Theoretical Investigations on Thiadiazole Derivatives as Corrosion Inhibitors on Mild Steel
443
Theoretical investigations on two-phase flow instability in parallel multichannel system
444
Theoretical investigations on ZnCdO2 and ZnMgO2 alloys: A first principle study
445
Theoretical invetigation of the role of choriocapillari blood flow in treatment of ubfoveal choroidal neovacularization aociated with age-related macular degeneration
446
Theoretical isochrones for the (delta)a photometric system
447
Theoretical Issues and Methodological Implications in Researching Visual Search Behaviours: A Preliminary Study Comparing the Cognitive and Ecologic Paradigms
448
Theoretical issues in cost-effectiveness analysis
449
Theoretical Issues in the Calculation of the Electrical Resistivity of Plasmas
450
Theoretical Issues on LTI Systems That Preserve Signal Richness
451
Theoretical justification of approximate norm minimization method for intelligent digital redesign
452
Theoretical justification of the central area indices and the central interval indices
453
Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine
454
Theoretical kinetic investigation of thermal decomposition of methylcyclohexane
455
Theoretical kinetic study of the unimolecular decomposition of 2-bromopropene
456
Theoretical L X-ray emission probabilities in the decay of 241Am
457
Theoretical L X-ray emission probabilities in the decay of 241Am
458
Theoretical LEED parameters for the zinc-blende GaN (110) surface
459
Theoretical LEED parameters for the zinc-blende GaN (110) surface
460
Theoretical levels of control as a function of mean temperature and spray efficacy in the aerial spraying of tsetse fly
461
Theoretical limits of thermoelectric power generation from exhaust gases
462
Theoretical Maximal Flow of the Left Ventricle is Sensitive to Change in Ventricular Afterload
463
Theoretical mean wave resistance of precursor solition generation in two-layer flow
464
Theoretical means for searching bimetallic alloys as anode electrocatalysts for direct liquid-feed fuel cells
465
Theoretical Measurement Uncertainty of White-Light Interferometry on Rough Surfaces
466
Theoretical mechanisms and kinetics of the hydrogen abstraction reaction of acetone by chlorine radical
467
Theoretical mechanisms of the superoxide radical anion catalyzed by the nickel superoxide dismutase
468
Theoretical mechanistic study of OH-initiated atmospheric oxidation reaction of allyl alcohol in the presence of O2 and NO
469
Theoretical method for non-crystalline growth
470
Theoretical methods for the relativistic atomic many-body problem
471
Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms
472
THEORETICAL MINIMUM COST COMBINATION OF DEPTH AND SPACING FOR SUBSURFACE DRAINS UNDER RADIAL FLOW CONDITIONS
473
Theoretical Misconceptions and Misuse of Statistics: A Critique of Khodadady and Hashemi (2011) and Some General Remarks on Cronbachʹʹs Alpha
474
Theoretical model and experimental analysis of a high pressure PEM water electrolyser for hydrogen production
475
Theoretical model and experimental diagnostics of nonlinear electrostatic structures in space plasma Original Research Article
476
Theoretical model and experimental study of red blood cell (RBC) deformation in microchannels
477
Theoretical model and investigation of concrete filled steel tube columns under axial force–torsion combined action
478
Theoretical Model Development for Agricultural Extension in Iran’s Resistive Economy
479
Theoretical model for annular flow condensation in rectangular micro-channels
480
Theoretical model for calculation of thermal diffusion factors in diluted binary melts
481
Theoretical model for electron emission from the coating-layer on the ferroelectric disk
482
Theoretical model for electron emission from the coating-layer on the ferroelectric disk
483
Theoretical model for evaluation of variable frequency drive for cooling water pumps in sea water based once through condenser cooling water systems
484
Theoretical model for fast bubble growth in small channels with reference to startup of capillary pumped loops used in spacecraft thermal management systems
485
Theoretical Model for Fiber-Reinforced Polymer-Confined Concrete
486
Theoretical model for moisture adsorption on ionic liquids: A modified Brunauer–Emmet–Teller isotherm approach
487
Theoretical model for oxidative activation of the O–H bond to platinum(0) complexes
488
Theoretical model for slender FRP-confined circular RC columns
489
Theoretical model for the evolution of the linguistic diversity
490
Theoretical Model for the Stereoselectivity and Solvent Dependence of an Enantioselective Amine N-acetylation
491
Theoretical Model for the Stereoselectivity and Solvent Dependence of an Enantioselective Amine N-acetylation
492
Theoretical model for the structural phase transition in polymerized KC60
493
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
494
Theoretical model for the transverse interference pattern of GRIN optical fiber using a laser sheet of light
495
Theoretical model for ultra fast dynamics of vibronic couplings in conjugated polymers
496
Theoretical model of a drying system including turbulence aspects Original Research Article
497
Theoretical model of a new fishery under a simple quota management system
498
Theoretical model of a new fishery under a simple quota management system
499
Theoretical model of air curtain with serials-parallel fans and experimental study
500
Theoretical model of antifreeze protein–ice adsorption: Binding of large ligands to a two-dimensional homogeneous lattice
501
Theoretical model of ball joint squeak
502
Theoretical model of crack branching in magnetoelectric thermoelastic materials
503
Theoretical model of cylindrical Langmuir probe for low-pressure electronegative discharges Original Research Article
504
Theoretical model of effective stress coefficient for rock/soil-like porous materials
505
THEORETICAL MODEL OF ELECTROMAGNETIC SCATTERING FROM 3D MULTI-LAYER DIELECTRIC MEDIA WITH SLIGHTLY ROUGH SURFACES
506
Theoretical model of electrostatic precipitator performance for collecting polydisperse particles
507
Theoretical model of heat balance in pigs
508
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
509
Theoretical model of laminar flow in a channel or tube under ocean conditions
510
Theoretical model of liquid aerosol particles deformation and shattering by high intensive laser radiation
511
Theoretical model of piezoelectric fibre pull-out
512
Theoretical model of reticulocyte to erythrocyte shape transformation
513
Theoretical model of steady-state magnetic reconnection in collisionless incompressible plasma based on the Grad–Shafranov equation solution Original Research Article
514
Theoretical Model of Steel Continuous Casting Technology Original Research Article
515
Theoretical model of thalassemic erythrocyte shape transformation
516
Theoretical model of the abiotic component of soil 13CO2 tracer efflux in 13C pulse-labeling experiments on plant–soil systems
517
Theoretical model of the abiotic component of soil 13CO2 tracer efflux in 13C pulse-labeling experiments on plant–soil systems
518
Theoretical model of the Bergeron–Findeisen mechanism of ice crystal growth in clouds
519
Theoretical model of the determination of the deformation rates of RC beams
520
Theoretical model of the grasp with vacuum gripper
521
Theoretical model of the interfacial reactions between solid iron and liquid zinc-aluminium alloy
522
Theoretical Model of the Polarization Properties of the Retinal Nerve Fiber Layer in Reflection
523
Theoretical model of the porosity of copolymer membranes
524
Theoretical model of the transformation superplastic diffusion bonding of eutectoid steel
525
Theoretical model of treatment strategies for clear cell carcinoma of the ovary: Focus on perspectives
526
Theoretical model on interface failure mechanism of reinforced concrete continuous beam strengthened by FRP
527
Theoretical model on the formation possibility of secondary organic aerosol from OH initialed oxidation reaction of styrene in the presence of O2/NO
528
Theoretical model on the heat and mass transfer in silica gel packed beds during the regeneration assisted by high-intensity ultrasound
529
Theoretical model to calculate steady-state and transient ampacity and temperature in buried cables
530
Theoretical model to determine the effects of geometrical factors on the resorption of calcium phosphate bone substitutes
531
Theoretical model with experimental validation of a regenerative blower for hydrogen recirculation in a PEM fuel cell system
532
Theoretical modeling and characteristic analysis of moving-train induced ground vibrations
533
Theoretical modeling and experimental analysis of direct contact membrane distillation
534
Theoretical modeling and experimental studies on biodiesel-fueled engine
535
Theoretical modeling and numerical solutions of some standard thermoluminescence detector crystals
536
Theoretical modeling and properties of class DIII topological superconductors
537
THEORETICAL MODELING AND SIMULATION OF PHASE–LOCKED LOOP (PLL) FOR CLOCK DATA RECOVERY (CDR)
538
Theoretical modeling and simulations of perovskite ferroelectrics: From phenomenological approaches to ab initio
539
THEORETICAL MODELING FOR FRETTING WEAR
540
Theoretical modeling framework for an unsaturated freezing soil
541
Theoretical modeling of a compound-drop spray in premixed flames
542
Theoretical modeling of air electrode operating in SOFC mode and SOEC mode: The effects of microstructure and thickness
543
Theoretical Modeling of Central Air-Jet Pump Performance for Pneumatic Transportation of Bulk Solids
544
Theoretical Modeling of Central Air-Jet Pump Performance for Pneumatic Transportation of Bulk Solids
545
Theoretical modeling of coexisting tetragonal and rhombohedral heterophase polydomain structures in lead zirconate titanate ferroelectric films near the morphotropic phase boundary Original Research Article
546
Theoretical modeling of crack arrest by inserting interference fit fasteners
547
Theoretical modeling of dark current and photo-response for quantum well and quantum dot infrared detectors
548
Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210)[001] tilt grain boundary
549
Theoretical Modeling of Effective Components on Biophilic Design of Spaces between Residential Complexes
550
Theoretical modeling of electrode impedance for an oxygen ion conductor and metallic electrode system based on the interfacial conductivity theory
551
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
552
Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method
553
Theoretical modeling of energy balance in electroerosion
554
Theoretical modeling of excitation and de-excitation processes of Er in SiO2 with Si nanocrystals
555
Theoretical modeling of fluid flow in cellular biological media: An overview
556
Theoretical Modeling of Gravity Segregation in WAG Improved Oil Recovery for Tilted Reservoirs
557
Theoretical modeling of guided wave propagation in a sandwich plate subjected to transient surface excitations
558
Theoretical modeling of influence of the structural disorder on the charge carrier mobility in triphenylene stacks
559
Theoretical modeling of infrared spectra of benzoic acid and its deuterated derivative
560
THEORETICAL MODELING OF IONIC SURFACTANT ADSORPTION ON MINERAL OXIDE SURFACES
561
Theoretical Modeling of Long-Time Drug Release from Nitrosalicyl-Imine-Chitosan Hydrogels through Multifractal Logistic Type Laws
562
Theoretical Modeling of Mechanical Resistance and Stability and Related Characteristics of Polymeric Systems with Branching/Cross-Linking
563
Theoretical modeling of metal–hydrogen interactions in Pd clusters
564
Theoretical modeling of metal–hydrogen interactions in Pd clusters
565
Theoretical modeling of molar volume and thermal expansion
566
Theoretical modeling of molar volume and thermal expansion Original Research Article
567
Theoretical modeling of monazite growth in a low-Ca metapelite
568
Theoretical Modeling of Multi-Sleeve Monopole Antennas
569
Theoretical Modeling of Obliquely Crossed Photothermal Deflection for Thermal Conductivity Measurements of Thin Films
570
Theoretical modeling of photocatalytic active species on illuminated TiO2
571
Theoretical Modeling of Pseudo Hydrostatic Force in Solid-Liquid Pipe Flow with Two Layers
572
Theoretical modeling of sliding vane compressor with leakage
573
Theoretical modeling of stream potholes based upon empirical observations from the Orange River, Republic of South Africa
574
Theoretical modeling of the effects of shock duration, frequency, and strength on the degree of electroporation
575
Theoretical modeling of the electronic spectra of poly(p-phenylene vinylene)
576
Theoretical modeling of the formation of chiral molecular patterns in self-assembled overlayers
577
Theoretical Modeling of the Ground State Intramolecular Proton Transfer in Cytosine: DFT Level Study
578
Theoretical Modeling of the Impact of Political Ties on China’s Economic Expansion
579
Theoretical modeling of the interaction of water with poly-p-phenylene vinylene
580
Theoretical modeling of the square-planar to tetrahedral isomerization of bis-chelate nickel(II) complexes
581
Theoretical modeling of thermally activated luminescence quenching through charge transfer states in lanthanide complexes
582
Theoretical modeling of TiO2/TCO interfacial effect on dye-sensitized solar cell performance
583
Theoretical modelling and effectiveness study of rail vibration absorber for noise control
584
Theoretical modelling of bowing in cracked marble slabs under cyclic thermal loading
585
Theoretical modelling of cis -vacant and trans -vacant configurations in the octahedral sheet of illites and smectites
586
Theoretical modelling of cutting forces in helical end milling with cutter runout
587
Theoretical modelling of cutting forces in helical end milling with cutter runout
588
Theoretical modelling of cutting forces in helical end milling with cutter runout
589
Theoretical modelling of ductile damage in duplex stainless steels – Comparison between two micro-mechanical elasto-plastic approaches
590
Theoretical modelling of electrokinetic flow in microchannel networks
591
Theoretical modelling of gas flow and filtering of particulates in cracks in containment barriers, and comparison with other theoretical and empirical studies
592
Theoretical modelling of iron nitriding coupled with a nanocrystallisation treatment. Application to numerical predictions for ferritic stainless steels
593
Theoretical Modelling of Metallurgical Defect Closing-Up Processes During Forming a Forging Original Research Article
594
Theoretical modelling of momentum transfer function of bi-disperse porous media
595
Theoretical modelling of scanning tunnelling microscopy, scanning tunnelling spectroscopy and atomic force microscopy
596
Theoretical modelling of self assembly of zwitterionic surfactants at the silica/water interface
597
Theoretical modelling of the effect of plasticity on reverse transformation in superelastic shape memory alloys
598
Theoretical modelling of the epoxidation of vinylallenes to give cyclopentenones
599
Theoretical modelling of X-ray fluorescence signals for different lunar compositions and dependence on solar activity Original Research Article
600
Theoretical modelling, analysis and validation of the shaft motion and dynamic forces during rotor–stator contact
601
Theoretical models and analytic expressions for buildup time of pulsed confocal unstable optical parametric oscillators with uniform or Gaussian reflectivity mirrors
602
Theoretical models and experimental results on the temperature dependence of polyfluorene solar cells
603
Theoretical models for description of the gas-solid surface vibrational interactions
604
Theoretical models for determination of weight percent of PHCS-g-PLLA copolymer using experimental data
605
Theoretical models for effective electrical and electrochemical properties of nano-particle infiltrated electrode of solid oxide fuel cell
606
Theoretical Models for Fluid Bed Drying of Cut Vegetables
607
Theoretical models for prediction of mechanical behaviour of the PP/EPDM nanocomposites fabricated by friction stir process
608
Theoretical models for single-molecule DNA and RNA experiments: from elasticity to unzipping
609
Theoretical models for supercritical fluid extraction
610
Theoretical models for the description of the IR frequency shifts of carbon monoxide interacting with silanol groups
611
Theoretical models for void coalescence in porous ductile solids. I. Coalescence “in layers”
612
Theoretical models for void coalescence in porous ductile solids. II. Coalescence “in columns”
613
Theoretical models of dark energy
614
Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site
615
Theoretical models of ferromagnetic III–V semiconductors
616
Theoretical models of health behavior and workplace self-protective behavior
617
Theoretical models of localized electrostatic structures in the auroral magnetosphere Original Research Article
618
Theoretical models of possible compact nucleosome structures Original Research Article
619
Theoretical models of sales promotions: Contributions, limitations, and a future research agenda
620
Theoretical models of sorption kinetics including a surface reaction mechanism: A review
621
Theoretical Models of the Antecedents and Consequences of Organizational, Workgroup, and Professional Esprit De Corps
622
Theoretical Models of the Halo Occupation Distribution: Separating Central and Satellite Galaxies
623
Theoretical models of ZnS nanoclusters and nanotubes: First-principles calculations
624
Theoretical models to evaluate hazard due to organochlorine compounds (OCs) in Mediterranean striped dolphin (Stenella coeruleoalba)
625
Theoretical models to predict the flexural failure of reinforced concrete beams under blast loads
626
Theoretical molecular Auger spectra with electron population analysis
627
Theoretical molecular structures for weakly bound complexes HX⋯·SO3 (X=F, Cl, Br): ab initio and DFT calculations
628
Theoretical morphology of tetrapod skull networks
629
Theoretical motivations for Equivalence Principle tests Original Research Article
630
Theoretical natural frequencies and mode shapes for thin and thick curved pipes and toroidal shells
631
Theoretical NMR study of the hydrogen bond and CH-π interactions in FH…Pyridine┴X-benzene complexes
632
Theoretical observations of π-systems as sodium bond donors
633
Theoretical optical gain in InGaN quantum wells
634
Theoretical optical gain in InGaN quantum wells
635
Theoretical optimisation of the side-wall of micropillar array columns using computational fluid dynamics
636
Theoretical optimization of Irinotecan-based anticancer strategies in the case of drug-induced efflux
637
Theoretical optimizations of acoustic wave gas sensors with high conductivity sensitivities
638
Theoretical oscillator strengths, transition probabilities, and radiative lifetimes of levels in Pb V
639
Theoretical overview of jet quenching
640
Theoretical Overview of Quark Gluon Plasma
641
Theoretical oxygen potential change of quaternary solid solution, Ay2+Bz3+U1−y−zO2+x, by configurational entropy calculation
642
Theoretical oxygen requirement for coal combustion: relationship with its calorific value
643
Theoretical particle physics
644
Theoretical performance analysis of doped optical fibers based on pseudo parameters
645
Theoretical performance analysis of electrochromic radiators for space suit thermal control Original Research Article
646
Theoretical performance analysis of ethanol-fuelled solid oxide fuel cells with different electrolytes
647
Theoretical performance analysis of mirroring World Wide Web sites
648
Theoretical performance analysis of the multi-stage gas-solid fluidized bed air preheater
649
Theoretical performance of genetic pattern classifier
650
Theoretical performance of HCFC123 as an alternative to CFC11
651
Theoretical performances of various refrigerant–absorbent pairs in a vapor-absorption refrigeration cycle by the use of equations of state
652
Theoretical perspective of alcohol decomposition and synthesis from CO2 hydrogenation
653
Theoretical perspective on the nucleon strange magnetic form factor Original Research Article
654
Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
655
Theoretical perspectives for enhancing biological diversity in forest ecosystems in Europe
656
Theoretical perspectives of trade-off analysis using DEA
657
Theoretical Perspectives on Groupthink: A Twenty-Fifth Anniversary Appraisal
658
Theoretical Perspectives on Labor and Colonialism: Reconsidering the California Missions
659
Theoretical perspectives on learning in an informal setting
660
Theoretical perspectives on suicide in gay men with AIDS
661
Theoretical perspectives on the coordination of supply chains
662
Theoretical perspectives on the coordination of supply chains
663
Theoretical phase diagram calculation and membrane morphology evaluation for water/solvent/polyethersulfone systems
664
Theoretical photoabsorption spectra of Arn+ clusters
665
Theoretical photoabsorption spectrum of Ar3+
666
Theoretical photoemission and X-ray emission spectra of nickel and cobalt disilicide films
667
Theoretical picture of the dynamics of the autoionization event in He(23S)H2 Penning ionization: collision energy dependence Original Research Article
668
Theoretical pKa prediction of O-phosphoserine in aqueous solution
669
Theoretical poroelasticity—a new approach
670
Theoretical possibilities of InxGa1−xN tandem PV structures
671
Theoretical precisions for sciamachy limb retrieval Original Research Article
672
Theoretical prediction and crashworthiness optimization of multi-cell triangular tubes
673
Theoretical prediction and experimental verification of low loading of platinum on titanium carbide as low-cost and stable electrocatalysts
674
Theoretical prediction and experimental verification of temperature distribution in FGM cylindrical plates subjected to thermal shock
675
Theoretical prediction and FEM analysis of superplastic forming of AA7475 aluminum alloy in a hemispherical die
676
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
677
Theoretical prediction for several important equilibrium Ge isotope fractionation factors and geological implications
678
Theoretical prediction of a carrier gas effect under nucleation in thermal diffusion chambers Original Research Article
679
Theoretical prediction of a novel inorganic fullerene-like family of silicon–carbon materials
680
Theoretical prediction of a surface-induced spin-reorientation phase transition in BaFe12O19 nanocrystals
681
Theoretical prediction of Al(OH)3 nanotubes and their properties
682
Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory
683
Theoretical prediction of binding modes and hot sequences for allopsoralen–DNA interaction
684
Theoretical prediction of bulk glass forming ability (BGFA) of Ti–Cu based multicomponent alloys
685
Theoretical prediction of creep flux in aeolian sand transport
686
Theoretical prediction of dynamic composite material properties for hypervelocity impact simulations
687
Theoretical prediction of ELNES/XANES and chemical bondings of AlN polytypes
688
Theoretical prediction of emulsion color
689
Theoretical prediction of ferrimagnetism in Mn2FeB, Mn2CoB and Mn2NiB
690
Theoretical prediction of FKrOH
691
Theoretical prediction of hydrogen storage on Li decorated planar boron sheets
692
Theoretical prediction of longitudinal heat conduction effect in cross-corrugated heat exchanger
693
Theoretical prediction of new Kubas four centre H2 complexes involving dimolybdate clusters
694
Theoretical prediction of new noble-gas molecules OBNgF (Ng = Ar, Kr, and Xe)
695
Theoretical prediction of optical absorption maxima for photosensory receptor mutants
696
Theoretical prediction of phosphorus nanotubes
697
Theoretical prediction of product distribution of the pyrolysis of high density polyethylene
698
Theoretical prediction of proton chemical shift in supercritical water using gas-phase approximation
699
Theoretical prediction of relative and absolute pKa values of aminopyridines Original Research Article
700
Theoretical prediction of ring structures for ZnS quantum dots
701
Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings
702
Theoretical prediction of state of charge of lithium ion cells
703
Theoretical prediction of structural, elastic and electronic properties of Si-doped TiCuGe intermetallics
704
Theoretical prediction of sulfuric acid condensation rates in boiler flue gas
705
Theoretical prediction of the ArO− anion ZEKE photoelectron spectrum
706
Theoretical prediction of the chemiluminescence behaviour of the ergot alkaloids: Direct flow injection chemiluminescence determination of ergotamine tartrate Original Research Article
707
Theoretical prediction of the elastic, electronic and optical properties of the filled tetrahedral semiconductor α-LiMgSb
708
Theoretical prediction of the electronic excited states and resonance Raman intensities in formamide from coupled cluster calculations
709
Theoretical prediction of the fundamental properties for the ternary Li2PtH6 and Na2PtH6
710
Theoretical prediction of the fundamental properties for the ternary MgYZn and Mg0.9YZn1.06 alloys
711
Theoretical prediction of the Kovatʹs retention index for oxygen-containing organic compounds using novel topological indices Original Research Article
712
Theoretical prediction of the lifetime of the metastable helium compound: HHeF
713
Theoretical prediction of the minimum stirrer speed in mechanically agitated suspensions
714
Theoretical prediction of the native fluorescence of pharmaceuticals
715
Theoretical prediction of the photoinduced chemiluminescence of pesticides
716
Theoretical Prediction of the Size and Lifetime of Evaporating Sneeze Droplets in a Confined Space: A Guideline to Control of COVID-19 Virus Transmission
717
Theoretical prediction of the state–state correlation among doublet state AlSO isomers
718
Theoretical prediction of the state–state correlation among doublet state SNO isomers
719
Theoretical prediction of the structural, elastic, electronic and thermal properties of the MAX phases X2SiC (X = Ti and Cr)
720
Theoretical prediction of the structural, electronic and optical properties of SnB2O4 (B = Mg, Zn, Cd)
721
Theoretical prediction of the structures and properties of cyclic AlS2 and GaS2 systems at density functional theory and all-electron correlation levels
722
Theoretical prediction of the structures and properties of metal sulfide fullerene Sc2S@C80
723
Theoretical prediction of the thermal conductivity and temperature variation inside mars soil analogues
724
Theoretical prediction of thermodynamic properties of tritiated beryllium molecules and application to ITER source term
725
Theoretical prediction of three-dimensionally conjugated novel polymers with excellent mechanical and electric properties: stiffer than diamond!
726
Theoretical prediction on aluminum nitride nanotubes
727
Theoretical prediction on low-lying states of HAlP and HPAl radicals
728
Theoretical prediction on low-lying states of HBP and HPB radicals
729
Theoretical Prediction on Martensitic Transformation Start-Strain of Nitinol
730
Theoretical prediction on the mechanical properties of 3D braided composites using a helix geometry model
731
Theoretical predictions and experimental validations on machining the Nimonic C-263 super alloy
732
Theoretical predictions and experimental verification of surface grain structure evolution for AA6061 during hot rolling Original Research Article
733
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
734
Theoretical predictions of arsenic and selenium species under atmospheric conditions
735
Theoretical predictions of electronic materials and their properties
736
Theoretical predictions of residue cross sections for superheavy elements Original Research Article
737
Theoretical predictions of the effective thermodiffusion coefficients in porous media
738
Theoretical predictions of the electronic and optical properties of single and coupled (In,Ga)As/GaAs quantum dots
739
Theoretical predictions of the two-dimensional solid-state NMR spectra: A case study of the 13C–1H correlations in metergoline
740
Theoretical predictions of vibration–rotation–tunneling dynamics of the weakly bound trimer (H2O)2HCl
741
Theoretical Predictions on Mechanical Properties of Functionally Graded Epoxy/Clay Nanocomposites
742
Theoretical predictions on the effective piezoelectric coefficients of 0–3 PZT/Polymer composites
743
Theoretical predictions vs. experimental measurements of the electrical conductivity of molten Li2CO3–K2CO3 modified by additives
744
Theoretical probing of inelastic spin-excitations in adatoms on surfaces
745
Theoretical problems in negotiating trade liberalization
746
Theoretical problems of scanning capacitance microscopy
747
Theoretical progress in many-body physics with ultracold dipolar gases
748
Theoretical progress in many-body physics with ultracold dipolar gases
749
Theoretical properties of offset bipolar electric field solitary structures in space plasmas Original Research Article
750
Theoretical proposal of planar silicon oligomer and silicon benzene
751
Theoretical proton affinities of α1 adrenoceptor ligands Original Research Article
752
Theoretical quantification of shape distortion in fuzzy Hough transform
753
Theoretical quantitative structure–activity relationships of flavone ligands interacting with cytochrome P450 1A1 and 1A2 isozymes Original Research Article
754
Theoretical quest for the titanium-substituted hydrocarbons
755
Theoretical Raman intensity of the G and 2D bands of strained graphene Original Research Article
756
Theoretical rate constants for the reaction BF2 + NF = BF3 + N of importance in boron nitride chemistry
757
Theoretical Recombination Processes Incorporating Interference Effects
758
Theoretical reflectance anisotropy spectroscopy and scanning tunnelling microscopy study of the gaas(001) (2 × 4) surface
759
Theoretical reflectance anisotropy spectroscopy and scanning tunnelling microscopy study of the gaas(001) (2 × 4) surface
760
Theoretical reflections on the connection between environmental assessment methods and conflict
761
Theoretical reflective performance of a sandwiched two-layer grating polarizer
762
Theoretical regime equations for mobile gravel-bed rivers with stable banks
763
Theoretical relation between halo current-plasma energy displacement/deformation in EAST
764
Theoretical relation between water flow rate in a vertical fracture and rock temperature in the surrounding massif
765
Theoretical relation between water flow rate in a vertical fracture and rock temperature in the surrounding massif
766
Theoretical relations of boundary displacement derivatives and tractions at singular boundary point for 2D isotropic elastic problems
767
Theoretical relationship between stomatal resistance and surface temperatures in sparse vegetation
768
Theoretical relationship between vibration transmissibility and driving-point response functions of the human body
769
Theoretical relationships between rainfall intensity and kinetic energy variants associated with stormwater particle washoff
770
Theoretical representation of shear and pressure influence on the phase separation behavior of PVME/PS mixture
771
Theoretical research and practice on coal mine methane extraction and ground development design
772
Theoretical research of a silica gel–water adsorption chiller in a micro combined cooling, heating and power (CCHP) system
773
Theoretical research of carbon dioxide power cycle application in automobile industry to reduce vehicle’s fuel consumption
774
Theoretical research of critical heat flux in subcooled impingement boiling on the stagnation zone
775
Theoretical research on high sensitivity gas sensor due to slow light in slotted photonic crystal waveguide
776
Theoretical research on naturally curved and twisted beams under complicated loads
777
Theoretical research on two-phase flow instability in parallel channels Original Research Article
778
Theoretical research on working fluid selection for a high-temperature regenerative transcritical dual-loop engine organic Rankine cycle
779
Theoretical response of a simply supported beam with a strain rate dependant modulus to a moving load
780
Theoretical results for chemotactic response and drift of E. coli in a weak attractant gradient
781
Theoretical results of the dust acoustic waves in a magnetized dusty plasma with different dust particles
782
Theoretical results on fractionally integrated exponential generalized autoregressive conditional heteroskedastic processes
783
Theoretical Results on Sparse Representations of Multiple-Measurement Vectors
784
Theoretical results on the double positron decay of 106Cd
785
Theoretical Results on the Effects of Nonregular Spatial Patterns of Plants on Yield per Area
786
Theoretical results on the global GMRES method for solving generalized Sylvester matrix equations
787
Theoretical review of B-physics
788
Theoretical review of B-physics
789
Theoretical review of B-physics
790
Theoretical review of diffractive phenomena Original Research Article
791
Theoretical risk assessment of magnesium alloys as degradable biomedical implants
792
Theoretical screening of zeolites for membrane separation of propylene/propane mixtures
793
Theoretical search for half-metallic material: Y MnS3
794
Theoretical search for molecular aggregates with strong non-linear optical activity
795
Theoretical seismic models of Mars: the importance of the iron content of the mantle
796
THEORETICAL SEMI-EMPIRICAL AM1 STUDIES OF SCHIFF BASESY (psi)
797
Theoretical Semi-Empirical Calculation of Molecular Structure of Schiff Base Complexes Zn (II).
798
Theoretical settings of photovoltaic-hydro energy system for sustainable energy production
799
Theoretical Shear Strength of Concrete Columns Due to Transverse Steel
800
Theoretical short-circuit current density for different geometries and organizations of silicon nanowires in solar cells
801
Theoretical Shortcomings of Institutional Review Boards and Possible Solutions
802
Theoretical simulation and experimental verification of C/SiC joints with pins or bolts
803
Theoretical simulation for identical bands
804
Theoretical simulation of butane isomers adsorption on a Pt(1 0 0) surface
805
Theoretical simulation of electron density and temperature distribution at Indian equatorial and low latitude ionosphere Original Research Article
806
Theoretical simulation of explosive boiling
807
Theoretical simulation of geometrical imperfections influence on drilling operations at drivage of curvilinear bore-holes
808
Theoretical simulation of noncontact AFM images of Si 111/ 63=63-Ag surface based on Fourier expansion method
809
Theoretical simulation of O+ and H+ concentrations obtained by the indian SROSS C2 satellite in the topside F-region and comparison with the IRI Original Research Article
810
Theoretical simulation of small scale psychometric solar water desalination system in semi-arid region
811
Theoretical Simulation of Temperature Induced Increase of Quantum Yield of Minimum Chlorophyll Fluorescence ΦF(0)
812
Theoretical simulation of the electronic circular dichroism spectrum of calicheamicin Original Research Article
813
Theoretical simulation of the interaction between neighboring oxygen ions for cation and anion-doped c-ZrO2
814
Theoretical simulation of the ROA spectra of neutral cysteine and serine
815
Theoretical simulation of thermal behavior in transient heat loads testing of plasma-facing materials
816
Theoretical simulation of vacuum cooling of spherical foods
817
Theoretical simulations of optical confinement in dye-sensitized nanocrystalline solar cells
818
THEORETICAL SOLUTION AND FINITE ELEMENT SOLUTION FOR AN ORTHOTROPIC THICK CYLINDRICAL SHELL UNDER IMPACT LOAD
819
Theoretical solution for light transmission of a bended hollow light guide
820
Theoretical solution for the cool-down or warm-up process of a pipeline or a packed bed Original Research Article
821
Theoretical Solutions for Finite-Span Wings of Arbitrary Shapes Using Velocity Singularities
822
Theoretical solutions for internal bone remodeling of diaphyseal shafts using adaptive elasticity theory
823
Theoretical Solutions for Unsteady Flows Past Oscillating Flexible Airfoils Using Velocity Singularities
824
Theoretical spectra of PAHs in modeling astrophysical IR features Original Research Article
825
Theoretical spectra of space-vector-modulated waveforms
826
Theoretical spectroscopic characterization of the B2Σ+ state of SiP and of the X2Π–B2Σ+ and A2Σ+–B2Σ+ transitions
827
Theoretical spectroscopic data of the HO2+ ion Original Research Article
828
Theoretical Spectroscopic Study for Some Diatomic Molecules
829
Theoretical spectroscopy of molecular iodine. 1. Ab initio study on the B0u+ - X0g+, A1u - X0g+ and B1u - X0g+ radiative transition intensities
830
Theoretical stability assessment of uranyl phosphates and apatites: Selection of amendments for in situ remediation of uranium
831
Theoretical state-of-the art in adsorbate motions and reactions induced by inelastic tunneling current with STM
832
Theoretical statistical solution and numerical simulation of heterogeneous brittle materials
833
Theoretical stellar ΔY/ΔO in the early Universe
834
Theoretical STM images of alkaline-earth metal adsorbed Si(1 1 1)3 × 2 surfaces
835
Theoretical STM images of Cu atoms on a Si(1 1 1) surface
836
Theoretical STM images of Ge monomers and trimers on Si(1 0 0)
837
Theoretical STM images of Ge monomers and trimers on Si(1 0 0)
838
Theoretical storage capacity for solar air pretreatment liquid collector/regenerator
839
Theoretical strategy considerations for beach management
840
Theoretical strength and structural response of Cu crystal
841
Theoretical stress analysis of intersecting cylindrical shells subjected to external loads transmitted through branch pipes
842
Theoretical stress concentration factors for short flat bars with opposite U-shaped notches subjected to in-plane bending
843
Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE
844
Theoretical structural and experimental vibrational study of niobyl nitrate
845
Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
846
Theoretical structural and vibrational properties of the artificial sweetener sucralose
847
Theoretical structural study on the adsorption properties of aliphatic aldehydes on ZnO nanoclusters and graphene-like nanosheets systems
848
Theoretical structure and surface energy of the reconstructed {01.2} form of calcite (CaCO3) crystal
849
Theoretical structure-activity studies of adenosine A1 ligands: requirements for receptor affinity Original Research Article
850
Theoretical structures and experimental vibrational spectra of isomeric benzofused thieno [3,2-b] furan compounds
851
Theoretical studies and spectroscopic investigations of ground and excited electronic states of thiophene oligomers Original Research Article
852
Theoretical studies for second hyperpolarizabilities of alternant and condensed-ring conjugated systems II
853
Theoretical studies for the formation of γ-valero-lactone from levulinic acid and formic acid by homogeneous catalysis
854
Theoretical studies for the potential energy surface and rovibrational spectra of Ne–HCN
855
Theoretical Studies for Trimethyl Phosphate Complexes with HNO3 and Water as a CO2-Soluble Extractant
856
Theoretical studies of , and clusters
857
Theoretical studies of [Si4NO]− clusters with ab initio MO and DFT methods
858
Theoretical Studies of 1-(4-Substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione Molecule
859
Theoretical Studies of 1, 2, 3-Triazole and Isoxazole-Linked Pyrazole Hybrids as Antibacterial Agents: An Approach of Docking and Density Functional Theory
860
Theoretical studies of 1:1 charge-transfer complexes between nitrogen-containing heterocycles and I2 molecules, and implications on the performance of dye-sensitized solar cell
861
Theoretical studies of 2-[(E)-(3-phenylmethoxyphenyl) methylideneamino]guanidine as promising drugs against SARS-coronavirus spike glycoproteins by molecular docking combined with molecular dynamics simulation and MM/GBSA calculation
862
Theoretical studies of 2-nitrobenzaldehyde and furan-2-carbaldehyde Schiff base of 2-amino pyridine
863
Theoretical studies of 2-quinolinol: Geometries, vibrational frequencies, isomerization, tautomerism, and excited states
864
Theoretical studies of a hybrid ejector CO2 compression cooling system for vehicles and preliminary experimental investigations of an ejector cycle
865
Theoretical studies of absorption spectra of SO2 isotopomers
866
Theoretical Studies of Anti-corrosion Properties of Triphenylimidazole Derivatives in Corrosion Inhibition of Carbon Steel in Acidic Media via DFT Approach
867
Theoretical studies of argon adsorption in MCM-41 mesoporous systems
868
Theoretical studies of arsenite adsorption and its oxidation mechanism on a perfect TiO2 anatase (1 0 1) surface
869
THEORETICAL STUDIES OF ATOMIC-SCALE PROCESSES RELEVANT TO CRYSTAL GROWTH
870
Theoretical studies of azapentalenes. Part 4: Theoretical study of the properties of 3a,6a-diazapentalene
871
Theoretical studies of azapentalenes. Part 5: Bimanes
872
Theoretical studies of binding of mannose-binding protein to monosaccharides
873
Theoretical studies of bonding properties and vibrational spectra of chosen ladder-like silsesquioxane clusters
874
Theoretical studies of boron(III) complexes for the new blue luminescent material
875
Theoretical studies of cation adsorption on hydroxylated α-A12O3 (corundum): electronic structure calculations
876
Theoretical studies of charge-transfer complexes of I2 with pyrazoles, and implications on the dye-sensitized solar cell performance
877
THEORETICAL STUDIES OF CHEMICAL DYNAMICS: Overview of Some Fundamental Mechanisms
878
Theoretical studies of chemical functionalization of the (8,0) boron nitride nanotube with various metalloporphyrin MP (M = Fe, Co, Ni, Cu, and Zn) complexes
879
Theoretical studies of chemisorption of NO2 molecules on SiC nanotube
880
Theoretical studies of CO2 adsorption mechanism on linkers of metal–organic frameworks
881
Theoretical studies of conjugate and substituent effects on the intramolecular proton transfer: an HF/CIS study
882
Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water
883
Theoretical Studies of Corrosion Inhibition Efficiency of Two New N-Phenyl-Ethylidene-5-Bromo Isatin Derivatives
884
Theoretical studies of cyclometalated phenylpyrazol Ir(III) complex using density functional theory
885
THEORETICAL STUDIES OF DIFFERENT TAUTOMERS OF ANTI CANCER DRUG: DICHLOROACETATE
886
Theoretical studies of dissociation pathways on the ground state potential energy surface for HXGeO (X=H, F, Cl, and Br) Original Research Article
887
Theoretical studies of dynamics for the reactions H + HBr (v = 0,1; j = 0) and D + DBr (v = 0,1; j = 0)
888
Theoretical studies of elastic properties of orthorhombic LiBH4
889
Theoretical studies of electronic absorption and emission spectra of Pt(saloph)
890
Theoretical studies of electronic states and phonon modes on the TiC(0 0 1)(1 × 1) surface
891
Theoretical studies of electronic structure and hole drift mobility of host hole transporting material 4,4′-N,N′-dicarbazol-biphenyl
892
Theoretical studies of electron-vibrational 4fN–4fN−15d spectra in LiYF4:RE3+ crystals
893
Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide
894
Theoretical studies of face centered cubic (FCC) Ti14C13+ and Ti13C13+ clusters: can met-cars form from these FCC structures?
895
Theoretical studies of ground and excited electronic states of complexes M(CO)4(phen) (M = Cr, Mo, W; phen = 1,10-phenanthroline)
896
Theoretical studies of implanted muons in organic magnets
897
Theoretical studies of implanted muons in organic magnets
898
Theoretical Studies of Inorganic Compounds, IX The Lewis Basicity of Diaminocarbene - A Theoretical Study of Donor-Acceptor Complexes of C(NH2)2, NH3 and CO with the Lewis Acids EF3, ECl3 (E = B, Al, Ga, In), TiF4 and TiCl4
899
Theoretical Studies of Interaction Melphalan Anticancer Drug with Functionalized Carbon Nanotube: Thermodynamics Studies
900
Theoretical studies of intermolecular interactions of arachno-pentaborane (11) with HF and LiH
901
Theoretical studies of intra- and inter-molecular magnetic interaction of organic polyradicals with S=32 and 2 spin sites
902
Theoretical studies of ionic conductivity of crosslinked chitosan membranes
903
Theoretical studies of iridium-mediated tautomerization of substituted pyridines
904
Theoretical studies of large amplitude alternating current voltammetry for a reversible surface-confined electron transfer process coupled to a pseudo first-order electrocatalytic process
905
Theoretical studies of local structure and high-pressure shifts of the spin–orbit levels of Co2+ in KZnF3
906
Theoretical studies of macroscopic erosion mechanisms of melt layers developed on plasma facing components
907
Theoretical studies of magnetic interaction in π-radical thiol and Gold hybrid systems
908
Theoretical studies of magnetization by ab initio path integral method
909
Theoretical studies of molecular structure and vibrational spectra of free, H-bonded and coordinated nicotinamide
910
Theoretical studies of molecular structure and vibrational spectra of glutaconic acid
911
Theoretical studies of molecular structure of natural products: Acromelic acid A and B
912
Theoretical studies of Na(H2O)19–21+ and K(H2O)19–21+ clusters: explaining the absence of magic peak for Na(H2O)20+
913
Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics
914
Theoretical studies of NH4+ (H2O)20 and NH3(H2O)20H+ clusters
915
Theoretical studies of nickel atoms and nickel(II) ions coordinated with CO and BF ligands
916
Theoretical studies of Nile Red by ab initio and semiempirical methods
917
Theoretical studies of nonradiative 4f–4f multiphonon transitions in dielectric crystals containing rare earth ions
918
Theoretical studies of one- and two-photon absorption properties for three molecules with different centers (B and N) and peripheral substituted groups [N(CH3)2 and CN]
919
Theoretical studies of organometallic conjugated systems: Prussian blue analogs
920
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2
921
Theoretical studies of positron annihilation in YN and ScN
922
Theoretical studies of processes involving implanted muons
923
Theoretical studies of protonated and non-protonated Schiff bases of retinal: ground state structures and energies of the all-trans, 13-cis, 11-cis, 9-cis, 6,7-cis, and 6-s-cis isomers
924
Theoretical studies of regioselectivity of Ni- and Rh-catalyzed C–C bond forming reactions with unsymmetrical alkynes
925
Theoretical studies of ruthenium hydride-catalyzed addition reactions of benzaldehydes to isoprenes leading to β,γ-unsaturated ketones: The role of the ligands hydride, carbonyl, chloride, and triphenylphosphine of the catalyst
926
Theoretical studies of scattering-angle resolved product rotational alignment for the reaction of Cl with vibrationally excited methane
927
Theoretical studies of self-organized criticality
928
Theoretical studies of sequence effects on the conformational properties of a fragment of the prion protein: implications for scrapie formation Original Research Article
929
Theoretical studies of silicon carbide surfaces
930
Theoretical studies of Sm/Si(1 1 1)–n × 1 (n = 5, 7) and Sm/Si(1 1 1)–(8 × 2) structures
931
Theoretical studies of solid–solid interfaces
932
Theoretical studies of spectra properties of cyclometalated platinumII complexes with 8-hydroxyquinolines and quinolino-8-thiol ligand
933
Theoretical studies of spin density populations on nitroxide and nitronylnitroxide derivatives
934
Theoretical studies of spin Hamiltonian parameters for the tetragonally elongated Cu2 + centers in ARbB4O7 (A = Li, Na, K) glasses
935
Theoretical studies of spin-polarized DLEED rotation curves: disordered CO overlayer on Pt(111)
936
Theoretical Studies of Stability and Reactivity of CHx Species on Ni(111)
937
Theoretical studies of structures and stabilization energies of (H2O)26, (H2O)27 and (H2O)28 pentakaidecahedral clusters
938
Theoretical studies of substoichiometric CuI
939
Theoretical studies of tetrakaidecahedral structures of (H2O)24, (H2O)25 and (H2O)26 clusters
940
Theoretical studies of the actinides: method calibration for the UO22+ and PuO22+ ions
941
Theoretical Studies of the Complex [(BPMEN)Fe(II)(NCCH3)2]2+, Precursor of Non-Heme Iron Catalysts for Olefin Epoxidation and Cis-Dihydroxylation
942
Theoretical studies of the conformations and 19F NMR spectra of linear and a branched perfluorooctanesulfonamide (PFOSAmide) Original Research Article
943
Theoretical studies of the decomposition of Zn[(iPr)2PSSe]2 single-source precursor in the gas phase for the chemical vapor deposition of binary and ternary zinc chalcogenides
944
Theoretical studies of the decyclization /cyclization of the C6H5 radical
945
Theoretical studies of the defect structures and the spin Hamiltonian parameters for the Pd+ and Pd3+ centers in NH4Cl
946
Theoretical studies of the dependence of nuclear quadrupole coupling constants on intermolecular forces
947
Theoretical studies of the effective exchange interactions and photoinduced magnetism in manganese and copper di(4-pyridyl)carbene complexes
948
Theoretical studies of the electronic properties of poly(azovinylene)
949
Theoretical studies of the electronic spectrum of SiC+
950
Theoretical studies of the electronic spectrum of SnSe
951
Theoretical studies of the electronic structures and linear, nonlinear optics of K3−xLi2+xNb5O15 with x = 0 and x = 1
952
Theoretical studies of the electronic structures and optical properties of stable blue-emitting polymer based on 4H-cyclopenta-[def]-phenanthrene
953
Theoretical studies of the formation of quaternary ammonium mesylates
954
Theoretical studies of the formation of quaternary pyridinium mesylates
955
Theoretical studies of the ground and low-lying excited electronic states of the early transition metal dihydrides with state averaged MC SCF method
956
Theoretical studies of the infrared and Raman spectra of cubane
957
Theoretical studies of the interaction of butadiene with Rh and Rh2
958
Theoretical studies of the internal rotation of the methyl group in o-, m-, and p-fluorotoluenes and their cations
959
Theoretical studies of the magnetic couplings and the chemical indices of the biomimetic models of oxyhemocyanin and oxytyrosinase
960
Theoretical studies of the magnetism of the first-row adatom on the ZnO nanotube
961
Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M=Al, Ga) systems
962
Theoretical studies of the optical and EPR spectra for V3+ in Y2O3 crystal
963
Theoretical studies of the optical spectra and EPR parameters for VO2+ ions in Zn(antipyrine)2(NO3)2
964
Theoretical studies of the oxidative addition of PhBr to Pd(PX3)2 and Pd(X2PCH2CH2PX2) (X = Me, H, Cl)
965
Theoretical studies of the pressure-induced zinc-blende to cinnabar phase transition in CdTe and thermodynamical properties of each phase
966
Theoretical studies of the reaction of hydroperoxy radicals (HO2) with ethyl peroxy (CH3CH2O2), acetyl peroxy (CH3C(O)O2), and acetonyl peroxy (CH3C(O)CH2O2) radicals
967
Theoretical studies of the reduction of ethylene carbonate
968
Theoretical studies of the relative stabilities and electronic properties on B endohedral and exohedral fullerenes
969
Theoretical studies of the ring opening metathesis reaction of 3,3-dimethyl cyclopropene with molybdenum catalyst
970
Theoretical studies of the solvent decomposition by lithium atoms in lithium-ion battery electrolyte
971
Theoretical studies of the solvent effect on conformational equilibria and atomic charges for isolated and hydrogen-bonded dimethoxy thiadiazoles
972
Theoretical studies of the spectra and two-photon absorption cross sections for porphyrin and carbaporphyrins
973
Theoretical studies of the spectroscopic properties of (L)Pt [(1,2-η2)-Ph–(Ctriple bond; length of mdashC)n–Ph] (L = dppp or (PPh3)2, n = 1 or 2)
974
Theoretical studies of the spin Hamiltonian parameters and the local structures for the tetragonal Cu2+ centers in the LKB glasses
975
Theoretical studies of the structure and function of MAO (methylaluminoxane)
976
Theoretical studies of the structure and stability of (Ag(C6H6)n+ (n = 1 and 2)
977
Theoretical studies of the structure of C2H2 adsorbed on Si(0 0 1)
978
Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices
979
Theoretical studies of the three-body recombination of the muonic helium ion (Heμ−)+ in gaseous helium
980
Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin
981
Theoretical studies of the water-cluster anions containing the OH{e}HO structure: energies and harmonic frequencies
982
Theoretical studies of ZEKE spectroscopy and dynamics of high Rydberg states
983
Theoretical studies on acetylene cyclotrimerization into benzene catalyzed by CpIr fragment
984
Theoretical studies on aminoborane oligomers
985
Theoretical studies on an unusual [Ag]+⋯[Au]−⋯[Au]−⋯[Ag]+ metallophilic pattern: Dispersive forces vs. classical coulomb forces
986
Theoretical studies on anisotropic electrical conductivity of trans-polyacetylene doped with n-type dopants
987
Theoretical studies on anisotropy of the first hyperpolarizabilities in one- and two-dimensional charge transfer molecules: Role of frequency dispersion
988
Theoretical studies on anomalous phases in model plane systems of libeh3
989
Theoretical studies on atmospheric reactions of CH2FO2 with HO2 and HO2⋅H2O complex
990
Theoretical studies on aurophilicity and excited-state properties in binuclear gold (I) trithiocarbonate and related complexes
991
Theoretical studies on band structure and optical properties of 3C–SiC by FPLAPW
992
Theoretical studies on C2H+NO reactions: mechanism for HCN+CO and HCO+CN formation
993
Theoretical studies on carbon tubules
994
Theoretical studies on charge transport character and optional properties of Alq3 and its difluorinated derivatives
995
Theoretical studies on chemisorption of oxygen on β-Mo2C catalyst and its surface oxidation
996
Theoretical studies on chemisorption of oxygen on β-Mo2C catalyst and its surface oxidation
997
Theoretical studies on contributions of SOMO–SOMO and other couplings to the magnetic interaction in radical clusters
998
Theoretical studies on corrosion inhibition of N-aroyl-N’-aryl thiourea derivatives using conceptual DFT approach
999
Theoretical studies on di- and tetra-nuclear Ni pivalate complexes
1000
Theoretical studies on DNA-binding, DNA-photocleavage and spectral properties of Co(III) complexes [Co(phen)2(L)]3+ (L = pip, hpip, hnaip)
