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1

Density dependence and fighting in species with indeterminate growth: a test in a fiddler crab

2

Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations

3

Density dependence of nucleon bag constant, radius and mass in an effective field theory model of QCD Original Research Article

4

Density dependence of nucleon radius and mass in the global color symmetry model of QCD with a sophisticated effective gluon propagator Original Research Article

5

Density dependence of the compressive properties of porous copper over a wide density range Original Research Article

6

Density dependence of the EMC effect

7

Density dependence of the MIT bag constant in a quark-meson coupling model

8

Density dependence of the MIT bag parameters from the field theory of hadrons

9

Density dependence of the superelastic behavior of porous shape memory alloys: Representative Volume Element and scaling relation approaches

10

Density dependence of the s-wave repulsion in pionic atoms Original Research Article

11

Density Dependence of the Viscosity of Some Noble Gases

12

Density dependent electron effective mass probed by photoluminescence down to dilute electron density limit

13

Density dependent functional forms drive compensation in populations exposed to stressors

14

Density dependent functional forms drive compensation in populations exposed to stressors

15

Density dependent growth in adult brown frogs Rana arvalis and Rana temporaria – A field experiment

16

DENSITY DEPENDENT INTERACTIONS BETWEEN CLEAVERS (Galium aparine) AND WHEAT (Triticum aestivum) PLANTED AT DIFFERENT TIMES

17

Density dependent matrix model for gray wolf population projection

18

Density dependent matrix model for gray wolf population projection

19

Density dependent neurodynamics

20

Density dependent responses of Cacti, Cylindropuntia bigelovii and C. echinocarpa (Cactaceae), in the desert of Southern California, USA

21

Density dependent vibrational relaxation in supercritical fluids

22

Density Determination of Liquid Copper, Nickel, and Their Alloys

23

Density distribution for a dense hard-sphere gas in micro/nano-channels: Analytical and simulation results

24

Density distribution in laser-cooled bunched beams

25

Density distribution in laser-cooled bunched beams

26

Density Distribution in Walsh Transform Sectors as Feature Vectors for Image Retrieval

27

Density distribution of 8B studied via reaction cross sections Original Research Article

28

Density distribution of gap states in extremely thin a-Si:H layers on crystalline silicon wafers

29

Density distribution of proton drip-line nucleus 17Ne Original Research Article

30

Density distribution of the India plate beneath the Tibetan plateau: Geophysical and petrological constraints on the kinetics of lower-crustal eclogitization

31

Density distribution reconstruction of the detonation front of high explosives using synchrotron radiation data

32

Density distribution reconstruction of the detonation front of high explosives using synchrotron radiation data

33

Density effect for the X-ray synchrotron radiation in a medium

34

Density effect for the X-ray synchrotron radiation in a medium

35

Density effect of binary mixtures on the segregation process in a vertical shaker

36

Density effect on mixing and segregation processes in a vibrated binary granular mixture

37

Density effects in iInternal-energy transport in polyatomic gases

38

Density effects in population growth: an exploration

39

Density effects on activated sludge zone settling velocities

40

Density Equation for Saturated 3He

41

Density Equation of Bio-Coal Briquettes and Quantity of Maize Cob in Phitsanulok, Thailand

42

Density Equation of Cassava-Stalk Briquettes Under Moderate Die-Pressure

43

Density estimates for a fluid jet model in the Heisenberg group

44

Density estimates for a random noise propagating through a chain of differential equations

45

Density estimation by the penalized combinatorial method

46

Density estimation by truncated wavelet expansion

47

Density estimation for compound Poisson processes from discrete data

48

Density estimation for nonisotropic random fields

49

Density estimation for nonlinear parametric models with conditional heteroscedasticity

50

Density estimation in norm for mixing processes

51

Density estimation in the presence of noise

52

Density estimation of bonobos (Pan paniscus) in Salonga National Park, Congo

53

Density estimation of pure carbon dioxide at supercritical region and estimation solubility of solid compounds in supercritical carbon dioxide: Correlation approach based on sensitivity analysis

54

Density estimation of two-phase flow with multiscale and randomly perturbed data

55

Density estimation on the spaces of symmetric and rectangular matrices

56

Density Estimation on the Stiefel Manifold

57

Density Estimation under Qualitative Assumptions in Higher Dimensions

58

Density estimation using asymmetric kernels and Bayes bandwidths with censored data

59

Density estimation via exponential model selection

60

Density estimator for strip transects when animals show directional movement and observation speed is slow

61

Density Estimators for Truncated Dependent Data

62

Density Estimators for Truncated Dependent Data

63

Density evolution by the low-field limit of kinetic frameworks with thermostat and mutations

64

Density evolution of absorption bandshapes in the water vapor OH-stretching fundamental and overtone: evidence for molecular aggregation

65

Density Evolution Technique for LDPC Codes in Slepian-Wolf Coding of Nonuniform Sources

66

Density Expansions of the Reduced Distribution Functions and the Excess Free Energy for Plasma with Coulomb and Short-Range Interactions

67

Density fingering in acidity fronts: Effect of viscosity

68

Density fingering in spatially bimodulated Hele-Shaw cells

69

Density fluctuation in silica–PVA hybrid gels determined by small-angle X-ray scattering

70

Density fluctuation of supercritical fluids obtained from small-angle X-ray scattering experiment and thermodynamic calculation

71

Density fluctuation spectra of expanded liquid 85Rb at different temperatures

72

Density fluctuations and correlations of confined fluids

73

Density fluctuations at high density in the ergodic divertor configuration of Tore Supra

74

Density fluctuations in Heliotron E measured using C02 laser phase contrast method

75

Density fluctuations in lattice-Boltzmann simulations of multiphase fluids in a closed system

76

Density fluctuations in the nuclear reaction–diffusion system and the oscillations inside stars

77

Density Fluctuations of Two Major Aspergillus Species Airborne Spores in Pistachio Growing Regions of Iran

78

Density forecasting for the efficient balancing of the generation and consumption of electricity

79

Density forecasting for weather derivative pricing

80

Density fractionated hollow silica microspheres with high-yield by non-polymeric sol–gel/emulsion route

81

Density fractionation of soil macroorganic matter using silica suspensions

82

Density fractionation of soil macroorganic matter using silica suspensions

83

Density fractions of soil macroorganic matter and microbial biomass as predictors of C and N mineralization

84

Density fractions of soil macroorganic matter and microbial biomass as predictors of C and N mineralization

85

Density function analysis of single polymer chain

86

Density function approximation using reduced sufficient statistics for joint estimation of linear and nonlinear parameters

87

Density function of piecewise linear transformation

88

Density functional analysis of field emission from metals

89

Density functional analysis of field emission from metals

90

Density functional and ab initio studies on N-acetyl-duocarmycin SA: insight into its DNA interaction properties Original Research Article

91

Density functional and bonding study of hydrogen and platinum adsorption on B2-FeTi (111) slab

92

Density functional and coupled cluster calculations of dynamic hyperpolarizabilities and their geometry derivatives

93

Density functional and coupled-cluster calculations of isodesmic reactions involving fluorine oxides

94

Density functional and dynamics study of the dissociative adsorption of hydrogen on Mg (0 0 0 1) surface

95

Density functional and G2 study of the strength of the OH bond in CF3OH

96

Density functional and multireference ab initio study of the ground and excited states of Ru2

97

Density functional and post Hartree-Fock equilibrium geometries, potential energy surface and vibrational frequencies for methylamine

98

Density functional and X-ray diffraction studies of bis(isocinchomeronic acid) trihydrated

99

Density functional and X-ray diffraction studies of two polymorphs of N,N′,N″-triphenylguanidine

100

Density functional approach to non-uniformly charged membrane/solvent interfaces

101

Density functional based structure optimization for molecules containing heavy elements: analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method Original Research Article

102

Density functional calculated 13C and 17O hyperfine couplings for the ubisemiquinone anion radical in an alcohol solvent model and in a model of the Qa binding site of Rb sphaeroides

103

Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb

104

Density functional calculation of a potential energy surface for alkane thiols on Au(1 1 1) as function of alkane chain length

105

Density functional calculation of core-electron binding energies of transition metal carbonyl and nitrosyl complexes

106

Density functional calculation of hydrogen-filled C60 molecules

107

Density functional calculation of K-shell spectra of small molecules

108

Density functional calculation of phenoxyl radical and phenolate anion: an examination of the performance of DFT methods

109

Density functional calculation of the electronic structure on insulin hexamer

110

Density functional calculation on the adsorption of nitrogen oxides and water on ion exchanged ZSM-5

111

Density functional calculations and experimental studies of the sidearm remote controlling effect in eight lariat crown ethers

112

Density functional calculations for polymers and clusters – progress and limitations

113

Density functional calculations for small iron clusters with substitutional phosphorus

114

Density functional calculations of 14N and 11B NQR parameters in the H-capped (6,0) and (4,4) single-walled BN nanotubes

115

Density functional calculations of amines on the (1 0 1) face of quartz

116

Density functional calculations of beryllium clusters Ben, n=2–8 Original Research Article

117

Density functional calculations of core-electron binding energies of amines. Application to (CH3)3NNi and (CH3)4N+Ni

118

Density functional calculations of dangling bonds for CN and SiN films

119

Density functional calculations of dinuclear organometallic carbonyl complexes. Part I: metalmetal and metalCO bond energies

120

Density functional calculations of elastic properties of portlandite, Ca(OH)2

121

Density functional calculations of Fermi contact hyperfine coupling parameters

122

Density functional calculations of Lithium-doped few-layer ABA-stacked graphene supported on Pt and Si-terminated SiC surfaces

123

Density functional calculations of molecular electric properties in iron containing systems

124

Density functional calculations of Pb1−xCaxSySe1−y alloys lattice matched to different substrates Review Article

125

Density functional calculations of response of single-walled armchair carbon nanotubes to axial tension

126

Density functional calculations of structural and electronic properties of a BN-doped carbon nanotube Original Research Article

127

Density Functional Calculations of the Electronic Band Structure and Optical Properties of KCaF_3

128

Density functional calculations of the electronic structure and magnetism of the different phases of

129

Density functional calculations of the hyperpolarisabilities of small molecules

130

Density functional calculations of the strain effects on binding energies and adatom diffusion on (0 0 0 1) GaN surfaces

131

Density functional calculations of the structure of crystalline urea under high pressure

132

Density functional calculations of Van der Waals clusters: NeN2+ as a case study

133

Density functional calculations on 11B and 15N chemical shielding tensors of small boron nitride nanotubes and graphitic sheet

134

Density functional calculations on adsorption of 2-methylheptylisonicotinate antitubercular drug onto functionalized carbon nanotube

135

Density functional calculations on alcoholysis and thiolysis of phosphate triesters: Stepwise or concerted?

136

Density Functional Calculations on Electronic Circular Dichroism Spectra of Chiral Transition Metal Complexes

137

Density functional calculations on low-lying singly excited states of open-shell atoms

138

Density functional calculations on neon satellites

139

Density functional calculations on protonated and deprotonated thiouracils and their complexes with water Original Research Article

140

Density functional calculations on simple carbonyl bases: protonation and hydrogen bond formation with water Original Research Article

141

Density Functional Calculations on the Binding of Dinitrogen to the FeFe Cofactor in Fe-Only Nitrogenase: FeFeco((mu)6-N2) as Intermediate in Nitrogen Fixation

142

Density functional calculations with configuration interaction for the excited states of molecules

143

Density functional characterization of the potential energy surface of the NO2 + Br reaction

144

Density functional complexation study of metal ions with poly(carboxylic acid) ligands. Part 1. Poly(acrylic acid) and poly(α-hydroxy acrylic acid)

145

Density functional complexation study of metal ions with poly(carboxylic acid) ligands. Part 2. Poly(acrylic acid-co-maleic acid), poly(methyl vinyl ether-co-maleic acid), and poly(epoxy succinic acid)

146

Density functional computational studies on ribose and glycine Maillard reaction: Formation of the Amadori rearrangement products in aqueous solution

147

Density functional computational studies on the intermediate stage of the ribose and glycine Maillard reaction: Formation of deoxyosones in aqueous solution

148

Density functional computational thermochemistry: Accurate determination of the enthalpy of formation of perfluoropropane from DFT and ab initio calculations on isodesmic reactions

149

Density functional computational thermochemistry: determination of the enthalpy of formation of sulfine, CH2SO, at room temperature

150

Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH2SO

151

Density functional computations for inner-shell excitation spectroscopy

152

Density functional computations of transition metal NMR chemical shifts: dramatic effects of Hartree-Fock exchange

153

Density functional computations on the structure and stability of OH−(H2O)n (n = 1−3) clusters. A test study

154

Density functional conformational analysis of 1,2-ethanediol

155

Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications

156

Density Functional Derived Structures and Molecular Properties of Nickel Dithiolenes and Related Complexes

157

Density functional electronic structures calculations of GeSe2

158

Density functional embedding for molecular systems

159

Density functional explorations of quadrupole coupling constants for BN, BP, AlN, and AlP graphene–like structures

160

Density functional investigation of atmospheric sulfur chemistry II. The heat of formation of the XSO2 radicals X=H,CH3

161

Density functional investigation of Fen clusters (n ≤ 6) with Cr substitutions: UB3LYP/LanL2DZ calculation

162

Density functional investigation of incorporation of functional additives to neutral salicylaldiminato Ni(II) polymerization catalyst

163

Density functional investigation of photo induced Intramolecular Proton Transfer (IPT) in Indole-7-carboxaldehyde and its experimental verification

164

Density functional investigation of reverse hydrogen spillover on zeolite supported Pd6 and Au6 clusters

165

Density functional investigation of structures and energetics of pure and Sn-doped small lithium clusters

166

Density functional investigation of the magnetic properties of PbMBO4 (M=Cr, Mn, Fe)

167

Density functional investigation of the magnetic superstructure of Cu2MnSnS4

168

Density functional investigation of the molecular structures, vibrational and absorption spectra of metal thiolate complexes, M(SC6H5)3 (M = As, Sb or Bi)

169

Density functional investigation of the molecular structures, vibrational spectra and molecular properties of sulfonated pyridyl imine ligands and their palladium complexes

170

Density functional investigation of X@BnHn (X = B+, Be; n = 5–8)

171

Density functional investigation on the cycloreversion of cyclobutane radical cation: new reaction mechanism

172

Density functional investigations on alkali metal (Li, Na, K) catalyzed thymidylyl (3′–5′) thymidine phosphodiester hydrolysis

173

Density functional investigations on the (H2O)n·CCH and (H2O)n·HCC complexes (n=1–3)

174

Density functional LCAO calculations of periodic systems. Effect of an ‘a posteriori’ correction of the Hartree-Fock energy on the physical properties of ionic sulfur compounds

175

Density functional model cluster study of adsorption of acetylene on magnesium oxide

176

Density functional model of multireference systems based on geminals

177

Density functional modeling of reverse hydrogen spillover on zeolite-supported tetrairidium clusters

178

Density functional molecular computations on protonated serotonin in the gas phase and various solvent media

179

Density functional molecular orbital calculations on the stability of hydrogen-bonded 4-hydroxyazobenzene dimers

180

Density functional non-equilibrium Greenʹs function (DFT-NEGF) study of the smallest nano-molecular switch

181

Density functional periodic study of the dehydrogenation of methane on Pd (1 1 1) surface

182

Density functional predicted geometries and vibrational frequencies of the neutral and anion-radical form of pheophytin: relevance to electron transfer in photosynthetic reaction centres

183

Density functional predictions of new silicon allotropes: Electronic properties and potential applications to Li-battery anode materials

184

Density functional slab model studies of water adsorption on flat and stepped Cu surfaces

185

Density functional studies of [(alkoxy-carbonyl)methyl]cobalt tricarbonyl triphenylphosphine complexes: an (alpha)ester (eta)^3-coordination

186

Density functional studies of free radicals: accurate geometry and hyperfine coupling prediction for semiquinone anions

187

Density functional studies of hydrogen-bonded systems: II. Solvation of the H2O–CO complex by a nonpolar solvent Original Research Article

188

Density functional studies of influences of Ni triad metals and solvents on oxidative addition of MeI to [M(CH3)2(NH3)2] complexes and C–C reductive elimination from [M(CH3)3(NH3)2I] complexes

189

Density functional studies of magic clusters Ga13M(M = Li, Na, K, and Rb)

190

Density functional studies of molecular chemisorption on TiO 110/

191

Density functional studies of molecular polarizabilities.: Part 8. Acenaphthene and acenaphthylene

192

Density functional studies of molecular structures of N-methyl formamide, N,N-dimethyl formamide, and N,N-dimethyl acetamide

193

Density functional studies of phenoxyl–Na+ ion complexes: implications for tyrosyl free radical interactions in vitro

194

Density functional studies of selected metal dioxides Original Research Article

195

Density functional studies of small gases adsorbed on the ZnO sodalite-like cage and its adsorption abilities

196

Density functional studies of structural and electronic properties of potassium alanate as a candidate for hydrogen storage

197

Density functional studies of the fluorine-terminated boron nitride nanotubes through computations of quadrupole coupling constants

198

Density functional studies of the magnetic properties in nitrogen doped TiO2

199

Density functional studies of the potential energy surface of the Ni+(CF3) complex

200

Density functional studies of the reactivity in the C–F bond activation of fluoromethane by bare lanthanum monocation

201

Density functional studies of thermal activation of methane by gas-phase [Pt(H)(OH)]+

202

Density functional studies on aniline dimer cations

203

Density functional studies on chromium catalyzed ethylene trimerization

204

Density functional studies on N-fused porphyrin. Electronic, magnetic and metal binding properties

205

Density functional studies on structure and reactivity of a dinuclear peroxovanadate(V) complex

206

Density functional studies on the ferromagnetic properties of (Zn,Cr)Te

207

Density functional studies on the hydrogen storage capacity of boranes and alanes based cages

208

Density functional studies on the mechanisms of unimolecular reactions of HXCSe (X=H, F, Cl, and Br) Original Research Article

209

Density functional study for the C–F bond activation of the reaction of [Pt(PCy3)2] with C6F6

210

Density functional study of adsorption properties of NO and NH3 over CuO/γ-Al2O3 catalyst

211

Density functional study of AgnAum and (n + m ⩽ 5) clusters interaction with a single S atom

212

Density functional study of Al/N co-doped (10,0) zigzag single-walled carbon nanotubes as CO sensor

213

Density functional study of alkali metals adsorption on the MgO(1 1 1) surface

214

Density functional study of alkylpyridine–iodine interaction and its implications in the open-circuit photovoltage of dye-sensitized solar cell

215

Density functional study of aqueous uranyl(VI) fluoride complexes

216

Density functional study of Aun (n = 3–5) clusters on relaxed graphite surfaces

217

Density functional study of bromine-doped lithium clusters

218

Density functional study of carbon dioxide hydrogenation on molybdenum carbide and metal Original Research Article

219

Density functional study of CdS1–xSex and CdS1–xTex alloys

220

Density functional study of CH3OH binding on small cationic CunAum+ (n + m ⩽ 5) clusters

221

Density functional study of chemical erosion mechanisms in carbon and boron-doped carbon as plasma facing material in tokamaks

222

Density functional study of CO oxidation on Pt and PtMo

223

Density functional study of copper segregation in aluminum

224

Density functional study of crystalline polyethylene

225

Density functional study of cucurbituril and its sulfur analogue

226

Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5NO]2− (M=Fe, Ru) and reduction products Original Research Article

227

Density functional study of elemental mercury adsorption on surfactants

228

Density functional study of ethylamine and allylamine on Si(1 0 0)-2 × 1 and Ge(1 0 0)-2 × 1 surfaces

229

Density functional study of graphite bulk and surface properties Original Research Article

230

Density functional study of H2 desorption from monohydride and dihydride Si(100) surfaces

231

Density functional study of H2O adsorption and dissociation on WC(0 0 0 1)

232

Density functional study of H2S binding on small cationic (n + m ⩽ 5) clusters

233

Density functional study of hydrogen spillover on direct Pd-doped metal-organic frameworks IRMOF-1

234

Density functional study of hypophosphite adsorption on Ni (1 1 1) and Cu (1 1 1) surfaces

235

Density functional study of imidazole–iodine interaction and its implication in dye-sensitized solar cell

236

Density functional study of initial HfCl4 adsorption and decomposition reactions on silicon surfaces with SiON interfacial layer

237

Density functional study of lanthanide complexes (η5-C5H5)2LnX·OC4H8 (Ln=La–Lu; X=F, Cl, Br and I)

238

Density functional study of linkage isomerism in dimethyl sulfoxide Ru(III) and Rh(III) complexes

239

Density functional study of M4 clusters (M=Cu, Ag, Ni, Pd) deposited on the regular MgO(001) surface

240

Density functional study of molecular hydrogen coverage on carbon nanotubes

241

Density functional study of mono-branched and di-branched di-anchoring triphenylamine cyanoacrylic dyes for dye-sensitized solar cells

242

Density functional study of multiple H2 adsorption and activation on a Pd6 cluster

243

Density functional study of Ni bulk, surfaces and the adsorbate systems Ni(1 1 1)(3×3)R30°–Cl, and Ni(1 1 1)(2 × 2)–K

244

Density functional study of NO binding on small AgnPdm (n + m ⩽ 5) clusters

245

Density functional study of non-polar surfaces of wurtzite CdSe

246

Density functional study of NOx binding on small AunCum (n + m ≤ 5) clusters

247

Density functional study of NOx reduction in zeolite cage

248

Density functional study of n-propyltrichlorogermane and n-propyltrichlorostannane

249

Density functional study of onion-skin-like [As@Ni12As20]3− and [Sb@Pd12Sb20]3− cluster ions

250

Density functional study of Pd adsorbates at SnO2(1 1 0) surfaces

251

Density functional study of polycarbon sulfides CnS (n = 2−9)

252

Density functional study of potential energy surfaces and relative stabilities of halonium cations of ethylene and cyclopentenes

253

Density functional study of small aqueous Be2+ clusters

254

Density functional study of structural and electronic properties of Al n P (2 ≤ n ≤ 12) clusters

255

Density functional study of structural and electronic properties of AlnP (2 <=n <= 12) clusters

256

Density functional study of structural and electronic properties of cube-like MgO clusters

257

Density functional study of structural, electronic and vibrational properties of Mg- and Zn-doped tricalcium phosphate biomaterials

258

Density functional study of structures and interaction hyperpolarizabilities of NH3–HCl–(H2O)n (n=0–4) clusters

259

Density functional study of structures and mechanical properties of Y-doped α-SiAlONs

260

Density functional study of surface properties of chromium

261

Density functional study of TaSin (n = 1–3, 12) clusters adsorbed to graphene surface

262

Density functional study of the 5-methylcytosine tautomers Original Research Article

263

Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition

264

Density functional study of the adsorption and separation of hydrogen in single-walled carbon nanotube

265

Density functional study of the adsorption of 1,4-cyclohexadiene on Pt(1 1 1): origin of the C–H stretch red shift

266

Density functional study of the adsorption of aspirin on the hydroxylated (0 0 1) -quartz surface

267

Density functional study of the adsorption of CO on Fe(1 1 0)

268

Density functional study of the adsorption of Na and K on Rh(1 1 1)

269

Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues

270

Density functional study of the chemisorption of O2 on the zig-zag surface of graphite

271

Density functional study of the complete pathway for the Heck reaction with palladium diphosphines

272

Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives

273

Density Functional Study of the Electric Hyperfine Interactions and the Redox-Structural Correlations in the Cofactor of Nitrogenase. Analysis of General Trends in 57Fe Isomer Shifts

274

Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase

275

Density functional study of the Hoffmann elimination of (N-Cl),N-methylethanolamine in gas phase and in aqueous solution

276

Density functional study of the hydrogen bonding: H2O·HO

277

Density functional study of the interaction of CO with undoped and Pd doped SnO2(1 1 0) surface

278

Density functional study of the interaction of molecular oxygen with small neutral and charged silver clusters

279

Density functional study of the intramolecular proton transfer and conformations in hydroxyaminosilanethione

280

Density functional study of the ionization potentials and electron affinities of small Nin clusters with n=2–6 and 8

281

Density functional study of the isomerisation of MOH (M=Be and Mg)

282

Density functional study of the lithiation of cyclic vinyl ethers in solution

283

Density functional study of the mechanism of halophilic reactions of some silylenes

284

Density functional study of the metallization of a linear carbon chain inside single wall carbon nanotubes Original Research Article

285

Density functional study of the MoxOy and MoxOy+ (x=1–3; y=1–9) oxide clusters

286

Density functional study of the one-bond CF coupling constant in α-fluorocarbonyl and α-fluorosulfonyl compounds

287

Density functional study of the phase diagram and thermodynamic properties of Zr

288

Density functional study of the polymorphism of Cs2C2 and Rb2C2

289

Density functional study of the second row transition metal dimers

290

Density functional study of the structural and electronic properties of RuS2(111): II. Hydrogenated surfaces

291

Density functional study of the structural, electronic, elastic and thermodynamic properties of ACRu3 (A = V, Nb and Ta) compounds

292

Density functional study of the ternary Si2CN4 and Csi: Si3N4 compounds

293

Density functional study of the TiO2–dopamine complex

294

Density functional study of the vibrational frequencies of Lindqvist polyanions Original Research Article

295

Density functional study of the Xe2H3+ cation Original Research Article

296

Density functional study of transition-metal-encapsulated Si10C10H20 cage-like clusters

297

Density functional study of W2 and W3 clusters

298

Density functional study of X monodoped and codoped (X = C, N, S, F) anatase TiO2

299

Density functional study of XRh (X = Sc, Y, Ti and Zr) intermetallic compounds

300

Density functional study of zigzag BN nanotubes with equivalent ends

301

Density Functional Study on Dihydrogen Activation at the H Cluster in Fe-Only Hydrogenases

302

Density functional study on electronic and optical properties of C (or N)-doped cubic cerium dioxide

303

Density functional study on electronic properties of P-doped spinel silicon carbon nitride

304

Density functional study on ferromagnetism in (Al, Fe)-codoped 4H-SiC

305

Density functional study on geometry and electronic structure of Eu@C60

306

Density functional study on ionic liquid of 1-propyl-4,5-dibromo-3-methylimidazolium bromide

307

Density Functional Study on Stability and Structural Properties of Cu n clusters

308

Density functional study on structures, stabilities, electronic and magnetic properties of NbnO (n = 3–10) clusters

309

Density functional study on the bioactivity of ellagic acid, its derivatives and metabolite

310

Density functional study on the dissociation process of oxygen on the Al(111) surface

311

Density functional study on the electronic properties, polarizabilities, NICS values, and absorption spectra of fluorinated fullerene derivative C60F17CF3

312

Density functional study on the geometric features and growing pattern of AlnNm clusters (n = 1–4, m = 1–4, n + m ⩽ 5)

313

Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine

314

Density functional study on the role of electron donors in propylene polymerization using Ziegler–Natta catalyst

315

Density functional study on the structural conformations, intramolecular charge transfer and vibrational spectra of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde

316

Density functional study the interaction of oxygen molecule with defect sites of graphene

317

Density functional theoretic studies of host–guest interaction in gas hydrates

318

Density functional theoretical studies of the isomers of croconic acid and their dimers

319

Density functional theoretical study of Cun, Aln (n = 4–31) and copper doped aluminum clusters: Electronic properties and reactivity with atomic oxygen

320

Density functional theoretical study of the structure, bonding and electrochemistry of N2S2 nitrosyl complexes of iron and cobalt

321

Density functional theoretical study of transition metal carbohydrazide perchlorate complexes

322

Density Functional Theoretical Study on 5,5′-azotetrazolate Nonmetallic Salts

323

Density functional theoretical study on the reaction mechanism of HNCS with SiHF radical

324

Density functional theory (DFT) and natural bond orbital (NBO) investigation of intramolecular hydrogen bond interaction and excited-state intramolecular proton transfer (ESIPT) reaction in a five-membered hydrogen-bonding system 2-(1H-pyrazol-5-yl)pyridi

325

Density functional theory (DFT) investigation on the structure and electronic properties of the cubic perovskite PbTiO3 Original Research Article

326

Density Functional Theory (DFT), Natural Band Orbital and Energy Studies of N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine

327

Density Functional Theory (DFT), Structural Properties, Natural Band Orbital and Energy Studies of N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine

328

Density functional theory analysis of reactivity of PtxPdy alloy clusters

329

Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase

330

Density functional theory and ab initio direct dynamics study on the reaction of BCl3+H→BCl2+HCl

331

Density functional theory and ab initio study of CH3NC and HNC isomerization

332

Density functional theory and Hartree–Fock-density functional theory calculations of 17O, 33S, and 73Ge quadrupole coupling constants Original Research Article

333

Density Functional Theory and Molecular Dynamic Studies About Effects of Functionalization and Surface Modification of Graphene on Adsorption of Phosgene

334

Density functional theory and molecular dynamic studies of hydrogen interaction with plasma-facing graphite surfaces and the impact of boron doping

335

Density functional theory and resonance Raman investigation of the ultraviolet electronic excited states of CF2I2

336

Density functional theory and tight-binding quantum chemical molecular dynamics calculations on Ce1–xCuxO2–δ catalyst and the adsorptions of CH3OH and CH3O on Ce1–xCuxO2–δ

337

Density functional theory and two-dimensional correlation polarized infrared spectroscopy studies on the anti-ferroelectric liquid crystal (1-methylheptyl)4-(4′-decyloxy-4-biphenyl) oxymethylene benzoate

338

Density functional theory and vibrational studies of mianserin and its hydrochloride and hydrobromide salts

339

Density functional theory applied to the calculation of dielectric constant of low-k materials

340

Density functional theory applied to the calculation of dielectric constant of low-k materials

341

Density functional theory applied to thermochemical calculations for phenol reactions

342

Density functional theory approach for improving the catalytic activity of a biomimetic model based on the Fe-only hydrogenase active site

343

Density Functional Theory as a tool to identify the dominant magnetic interactions in the [Cu(hfac)2(N3TEMPO)]n chain

344

Density functional theory assessment of the thermal degradation of diclofenac and its calcium and iron complexes

345

Density Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid Leukemia

346

Density functional theory calculation of electron spectra of formaldehyde

347

Density functional theory calculation of electronic circular dichroism using London orbitals

348

Density functional theory calculation of K-shell excitation of nitrous oxide

349

Density functional theory calculation of platinum surface segregation energy in Pt3Ni (111) surface doped with a third transition metal

350

Density functional theory calculation on the effect of local structure of doped ceria on ionic conductivity

351

Density functional theory calculation on the promotion effect of H2 in the selective catalytic reduction of NOx over Ag–MFI zeolite

352

Density Functional Theory Calculations for Diaminonaphthalene Molecules group

353

Density functional theory calculations for ethylene carbonate-based binary electrolyte mixtures in lithium ion batteries

354

Density functional theory calculations for F−

355

Density functional theory calculations for Pd adsorption on SO4 adsorbed on h-BN

356

Density functional theory calculations for resveratrol

357

Density functional theory calculations for simple prototypes of perfluorocarbons: neutral and anionic c-C4F8 and 2-C4F8

358

Density functional theory calculations for the interaction of oxygen with reduced M/SnO2(1 1 0) (M=Pd, Pt) surfaces

359

Density functional theory calculations for the microsolvation of M3+–zwitterionic glycine complexes (M3+ = Al3+, Ga3+, In3+)

360

Density functional theory calculations for the oxygen dissociation on nitrogen and transition metal doped graphenes

361

Density functional theory calculations of adsorption of water at calcium oxide and calcium fluoride surfaces

362

Density functional theory calculations of adsorption-induced surface stress changes

363

Density Functional Theory Calculations of Functionalized Carbon Nanotubes with Metformin as Vehicles for Drug Delivery

364

Density functional theory calculations of hydrogen adsorption on Ti-, Zn-, Zr-, Al-, and N-doped and intrinsic graphene sheets

365

Density functional theory calculations of hydrogen molecule adsorption on monolayer molybdenum and tungsten disulfide

366

Density functional theory calculations of iodine cluster anions: Structures, chemical bonding nature, and vibrational spectra

367

Density functional theory calculations of isotropic hyperfine coupling constants of atoms and monohydrides

368

Density functional theory calculations of molecular nitrogen on a ruthenium cluster

369

Density functional theory calculations of ozone adsorption on sidewall single-wall carbon nanotubes with Stone-Wales defects

370

Density functional theory calculations of stable isomers for trifluoroacetic acid (TFA)–(H2O)4 complexes

371

Density functional theory calculations of surface properties and H2 adsorption on the Cu2O (1 1 1) surface

372

Density functional theory calculations of the local spin densities of 3-substituted thiophenes and the oligomerization mechanism of 3-methylsulfanyl thiophene

373

Density functional theory calculations of the visible spectrum of chlorophyll a

374

Density functional theory calculations of vibrational spectra of rhodium oxide clusters

375

Density functional theory calculations on Fe–O and O–O cleavage of ferric hydroperoxide species: Role of axial ligand and spin state

376

Density functional theory calculations on the adsorption of formaldehyde and other harmful gases on pure, Ti-doped, or N-doped graphene sheets

377

Density functional theory characterization of lanthanum nitride endohedral fullerene: La3N@C92

378

Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis of hydrogen bonds

379

Density functional theory characterization of the formation of copper clusters on Fs and centers on a MgO surface

380

Density functional theory derived intermediates from the OH initiated atmospheric oxidation of toluene

381

Density functional theory description of electronic properties of wurtzite zinc oxide Original Research Article

382

Density functional theory description of excited-state intramolecular proton transfer

383

Density functional theory design and characterization of D–A–A type electron donors with narrow band gap for small-molecule organic solar cells

384

Density functional theory direct dynamics study on the hydrogen abstraction reaction of CF3CHFCF3+OH→CF3CFCF3+H2O

385

Density functional theory evidence for an electron hopping process in single-walled carbon nanotube-mediated redox reactions Original Research Article

386

Density functional theory exploring the HONO potential energy surface

387

Density functional theory for a confined Fermi system with short-range interaction Original Research Article

388

Density functional theory for calculating surface tensions with a simple renormalization formalism for the critical point

389

Density functional theory for differential capacitance of planar electric double layers in ionic liquids

390

Density functional theory for non-relativistic fermions in the unitarity limit Original Research Article

391

Density functional theory for non-uniform associating ionic fluids

392

Density functional theory for nuclei and hypernuclei

393

Density functional theory for open-shell singlet biradicals

394

Density functional theory for reactions of astrophysical interest

395

Density functional theory for reactions of astrophysical interest

396

Density functional theory in periodic systems using local Gaussian basis sets Original Research Article

397

Density functional theory investigation of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0)

398

Density functional theory investigation of electrophilic addition reaction of chlorine to tricyclo[4.2.2.2^2,5 ]dodeca-1,5-diene

399

Density functional theory investigation of interaction of zigzag (7,0) single-walled carbon nanotube with Watson–Crick DNA base pairs

400

Density functional theory investigation of molecular oxygen interacting with Si(1 0 0)-(2 × 1)

401

Density functional theory investigation of S2− in KCl: evidence for the existence of a di-vacancy site

402

Density functional theory investigation of site predilection of Fe substitution in barium titanate

403

Density Functional Theory Investigation of Substituent Effects on Building Blocks of Conducting Polymers

404

Density Functional Theory Investigation of the Active Site of [Fe]-Hydrogenases: Effects of Redox State and Ligand Characteristics on Structural, Electronic, and Reactivity Properties of Complexes Related to the [2Fe]H Subcluster

405

Density functional theory investigation of the deprotonation of oxete

406

Density functional theory investigation of the diffusion and recombination of H on a graphite surface

407

Density functional theory investigation of the mechanical properties of single-walled carbon nanotubes

408

Density functional theory investigation of the stereochemistry effects on 1H and 13C NMR chemical shifts of poly(vinyl chloride) oligomers

409

Density functional theory investigation of the structure of SO2 and SO3 on Cu(1 1 1) and Ni(1 1 1)

410

Density functional theory investigation of the VIIIB transition metal atoms deposited on (5,5) single-walled carbon nanotubes

411

Density functional theory investigation on the structure and stability of Sc2Bn (n = 1–10) clusters

412

Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals

413

Density functional theory investigations of geometries and electronic spectra of lithium phthalocyanines

414

Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(1 1 1)

415

Density functional theory methods for characterization of porous materials

416

Density functional theory model for calculating pore size distributions: pore structure of nanoporous catalysts

417

Density functional theory modelling of amorphous silicon

418

Density functional theory modelling of image and image surfaces: Structure, properties and adsorption of N2O

419

Density functional theory of adsorption and phase behavior of the Lennard–Jones fluids confined in MCM-41 with a finite thickness

420

DENSITY FUNCTIONAL THEORY OF BIOLOGICALLY RELEVANTMETAL CENTERS

421

Density functional theory of bipolarons in polar liquids

422

Density Functional Theory of Ca2+ and Troponin C (TnC)

423

Density functional theory of magnetic systems revisited

424

Density functional theory of the electronic and magnetic properties of interfaces and multilayers

425

Density functional theory of the electronic and magnetic properties of interfaces and multilayers

426

Density functional theory prediction for diffusion of lithium on boron-doped graphene surface

427

Density functional theory prediction for oxidation and exfoliation of graphite to graphene

428

Density functional theory prediction of geometry and vibrational circular dichroism of bridged triarylamine helicenes

429

Density functional theory predictions for blue luminescence and nonlinear optical properties of carbon-doped gallium nitride

430

Density functional theory predictions for small radicals containing boron and aluminium: broken symmetry problems and solutions

431

Density functional theory predictions of adsorption isotherms with hysteresis loops

432

Density functional theory predictions of the nonlinear optical properties of molecules

433

Density functional theory Raman spectra of cyclic selenium clusters Sen (n = 5–12)

434

Density functional theory rationalization of the substituent effects in trifluoromethyl-pyridinol derivatives

435

Density functional theory studies of beryllium-doped endohedral fullerene Be@C60: on center displacement of beryllium inside the C60 cage

436

Density functional theory Studies of condensed Phases of 6d super heavy elements

437

Density functional theory studies of correlations between structure, binding energy, and dipole polarizability in Si9 and Si12

438

Density Functional Theory Studies of Defects in the (5,5) Silicon Nanotube

439

Density functional theory studies of electronic properties of PdAg/Pd surface alloys

440

Density functional theory studies of energetic nitrogen-rich derivatives of substituted carbon-bridged diiminotetrazoles

441

Density Functional Theory studies of hydroxybutanones

442

Density functional theory studies of interactions of graphene with its environment: Substrate, gate dielectric and edge effects

443

Density functional theory studies of mechanistic aspects of the SCR reaction on vanadium oxide catalysts

444

Density functional theory studies of methane dissociation on anode catalysts in solid-oxide fuel cells: Suggestions for coke reduction

445

Density functional theory studies of methylated uracil: geometries and energies Original Research Article

446

Density functional theory studies of new bipolar carbazole–benzothiazole: Electronic and vibrational properties

447

Density functional theory studies of submonolayer oxidized silicon structures on Pd(1 1 1) and Pt(1 1 1)

448

Density functional theory studies of sulfur binding on Pd, Cu and Ag and their alloys

449

Density functional theory studies of the quadrupole moments of benzene and naphthalene

450

Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria

451

Density functional theory studies of Yb-, Ca- and Sr-substituted Mg2NiH4 hydrides

452

Density functional theory studies on 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone

453

Density functional theory studies on a designed photoactive {FeNO}6 nitrosyl and the corresponding photoinactive {FeNO}7 species: Insight into the origin of NO photolability

454

Density Functional Theory studies on interactions of phosphoryl ligands with a pentaaqua Ca2+ complex: Bond interaction analysis

455

Density functional theory studies on molecular structure and vibrational spectra of NLO crystal l-phenylalanine phenylalanium nitrate for THz application

456

Density functional theory studies on pyrolysis mechanism of β-O-4 type lignin dimer model compound

457

Density functional theory studies on pyrolysis mechanism of β-O-4 type lignin dimer model compound

458

Density functional theory studies on stress stabilization of the Cu(1 1 0) striped phase

459

Density functional theory studies on structural isomers and bonding of catecholborane adducts of Group 5 metallocene (Nb, Ta) hydride complexes

460

Density functional theory studies on the mechanism of activation of methane by homonuclear bimetallic Ni–Ni

461

Density functional theory studies on the potential energy surface and hyperpolarizability of polyamidoamide dendrimer

462

Density functional theory studies on decomposition of ethyl-palladium complexes: an important role of cationic species

463

Density functional theory study into the adsorption of CO2, H and CHx (x = 0–3) as well as C2H4 on α-Mo2C(0 0 0 1)

464

Density functional theory study of

465

Density Functional Theory Study of 1, 4-Bis(methane sulfonyloxy)butane Tautomerization Mechanism as Anticancer Drug

466

Density functional theory study of adsorption of OOH on Pt-based bimetallic clusters alloyed with Cr, Co, and Ni

467

Density Functional Theory Study of Anticancer/Nanocone in Biological Interaction

468

Density functional theory study of atomic oxygen, O2 and O3 adsorptions on the H-capped (5,0) single-walled carbon nanotube

469

Density functional theory study of AunMn(n=1–8) clusters Original Research Article

470

Density Functional Theory Study of B6C4Si Cluster as a Novel Drug Carrier

471

Density functional theory study of benzene oxidation over Fe-ZSM-5

472

density functional theory study of benzoic acid decarboxylation

473

Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes

474

Density functional theory study of chlorine adsorption on the Pt(111) surface

475

Density functional theory study of CO adsorption on the Fe(1 1 1) surface

476

Density functional theory study of CS2/Cl adducts and their isomerization reactions

477

Density functional theory study of dipicolinic acid isomers and crystalline polytypes

478

Density Functional Theory Study of Electroactive Materials Based on Thiophene in Their Neutral and Doped States

479

Density Functional Theory Study of Electroactive Materials Based on Thiophene in Their Neutral and Doped States

480

Density functional theory study of electronic structure and spectra of tetraoxa[8]circulenes

481

Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

482

Density functional theory study of ethylene partial oxidation on Ag7 clusters

483

Density functional theory study of FePdn (n = 2–14) clusters and interactions with small molecules

484

Density functional theory study of heterogeneous CO oxidation over an oxygen-enriched yttria-stabilized zirconia surface

485

Density functional theory study of hydrogen sulfide dissociation on bi-metallic Ni–Mo catalysts

486

Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

487

Density functional theory study of hydroxide-ion induced degradation of imidazolium cations

488

Density functional theory study of indigo and its derivatives as photosensitizers for dye-sensitized solar cells

489

Density functional theory study of infrared-active vibrational modes in doped poly(p-phenylene)

490

Density functional theory study of interactions between glycine and TiO2/graphene nanocomposites

491

Density functional theory study of lactic acid adsorption and dehydration reaction on monoclinic 0 1 1, image, and image zirconia surfaces

492

Density Functional Theory study of leaching efficiency of acids on Si(110) surface with adsorbed boron

493

Density functional theory study of lithium intercalation for 5 V LiNi0.5Mn1.5O4 cathode materials

494

Density Functional Theory Study of Magnesium Hydride Nano Clusters

495

Density Functional Theory Study of Magnesium Hydride Nano Clusters

496

Density Functional Theory Study of Methanol Conversion via Cold Plasmas

497

Density functional theory study of molecular structure, chemical reactivity and radical scavenging potency of (+)-curcutetraol

498

Density functional theory study of molecular structure, Electronic properties, UV–Vis spectra on coumarin102.

499

Density Functional Theory Study of new materials based on thiophene and oxathiazole in their neutral and doped states.

500

Density functional theory study of N–H⋯O, O–H⋯O and C–H⋯O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine Original Research Article

501

Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru

502

Density Functional Theory Study of Nine-Atom Germanium Clusters: Effect of Electron Count on Cluster Geometry

503

Density functional theory study of NO on the Rh(1 0 0) surface

504

Density functional theory study of O2 electroreduction when bonded to a Pt dual site

505

Density functional theory study of OCnS (n=2–6)

506

Density functional theory study of possible mechanisms of folic acid photodecomposition

507

Density functional theory study of potassium atom adsorbing on the interior and exterior of a series of carbon nanotubes

508

Density functional theory study of propane steam reforming on Rh–Ni bimetallic surface: Sulfur tolerance and scaling/Brønsted–Evans–Polanyi relations

509

Density functional theory study of proton hopping in MCM-22 zeolite

510

Density functional theory study of radical hydrogen abstraction with hydrogen and hydroxyl radicals

511

Density functional theory study of selenium adsorption on Fe(1 1 0)

512

Density functional theory study of single-wall platinum nanotubes

513

Density functional theory study of structure and bonding of water on alumina nanotube

514

Density functional theory study of sulfur tolerance of CO adsorption and dissociation on Rh–Ni binary metals Original Research Article

515

Density functional theory study of sulfur tolerance of copper: New copper–sulfur phase diagram

516

Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles

517

Density functional theory study of the adsorption of oxygen atoms on gold (111), (100) and (211) surfaces

518

Density functional theory study of the adsorption of toxic large molecules on nitrogen modified TiO2 anatase nanoparticles

519

Density functional theory study of the B10, and clusters and their sandwich-type metal compounds

520

Density functional theory study of the B6, B6+, B6−, and B62− clusters

521

Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water

522

Density functional theory study of the canthaxanthin and other carotenoid radical cations

523

Density functional theory study of the chemisorption of CO on Ir/MgO(1 0 0)

524

Density functional theory study of the decomposition of Mg(OH)2: a lamellar dehydroxylation model

525

Density functional theory study of the effect of subsurface H, C, and Ag on C2H2 hydrogenation on Pd(1 1 1)

526

Density functional theory study of the effects of alloying additions on sulfur adsorption on nickel surfaces

527

Density functional theory study of the electrochemical oligomerization of thiophene: transition states for radical–radical and radical–neutral pathways

528

Density functional theory study of the electronic absorption spectrum of Mg-porphyrin and Mg-etioporphyrin-I

529

Density functional theory study of the formation of Si nanostructures on a Si(1 1 1) unreconstructed surface

530

Density functional theory study of the geometric structure and energetics of triphenylamine-based hole-transporting molecules

531

Density functional theory study of the hydrogen bonding interaction of 1:1 complexes of formamide with methanol

532

Density Functional Theory study of the hydrogen storage in a vacancy zone of an iron–nickel cell

533

Density functional theory study of the local molecular properties of acetamide derivatives as anti-HIV drugs

534

Density functional theory study of the mechanism for Ni(NHC)2 catalyzed dehydrogenation of ammonia–borane for chemical hydrogen storage

535

Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

536

Density functional theory study of the partial oxidation of methanol on copper surfaces

537

Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug

538

Density functional theory study of the reaction mechanism of the DNA repairing enzyme alkylguanine alkyltransferase

539

Density functional theory study of the reactions of 2-azido-N,N-dimethylethanamine with nitric acid and nitrogen dioxide

540

Density functional theory study of the regio and stereoselectivity in 1,3-dipolar cycloddition reactions between N-methyl methylenenitrone and fluorinated dipolarophiles

541

Density functional theory study of the relaxation and energy of iron surfaces

542

Density functional theory study of the Si2H6−xFx series of molecules

543

Density functional theory study of the structural and energetically properties of 1H-tetrazolyl cubane as high energy density material

544

Density functional theory study of the structural and optical properties of lithium azide

545

Density functional theory study of the structural properties of cis-trans isomers of bis-(5-nitro-2H-tetrazolato-N2) tetraammine cobalt (III) perchlorate (BNCP)

546

Density functional theory study of the structure and electric properties of poly(vinylidene cyanide trifluoroethylene) copolymer ultrathin film

547

Density functional theory study of the structure–antioxidant activity of polyphenolic deoxybenzoins

548

Density functional theory study of the vibrational properties of hydrogenated graphene

549

Density functional theory study of the water adsorption at Bi(111) electrode surface

550

Density functional theory study of water adsorption on FeOOH surfaces

551

Density functional theory study of water adsorption on FeOOH surfaces

552

Density functional theory study on (Mg(BH4))n (n = 1–4) clusters as a material for hydrogen storage

553

Density functional theory study on activity of α-Fe2O3 in chemical-looping combustion system

554

Density functional theory study on adsorption of Pt nanoparticle on graphene

555

Density functional theory study on adsorption of thiophene on TiO2 anatase (0 0 1) surfaces

556

Density functional theory study on configurations and electronic properties of periodic nanoridges

557

Density functional theory study on crystal nickel phosphides

558

Density functional theory study on electronic and photocatalytic properties of orthorhombic AgInS2

559

Density functional theory study on oxygen adsorption in LaSrCoO4: An extended cathode material for solid oxide fuel cells

560

Density functional theory study on structural isomers and bonding of model complexes M(CO)5(BH3 · PH3) (M = Cr, Mo, W) and W(CO)5(BH3 · AH3) (A = N, P, As, Sb)

561

Density functional theory study on the “Molecular Taekwondo” process of pyrene-armed calix[4]azacrowns

562

Density functional theory study on the effect of Cu- and Na-substituted layers on spin-dependent transport and TMR in the Fe/ZnO/Fe MTJ

563

Density functional theory study on the effect of Cuand Na‑substituted layers on spin‑dependent transport and TMR in the Fe/ZnO/Fe MTJ

564

Density functional theory study on the electronic structure of Monascus dyes as photosensitizer for dye-sensitized solar cells

565

Density functional theory study on the geometric, electronic and vibrational structures of alkali metal porphyrin complexes

566

Density functional theory study on the mechanism of calcium sulfate reductive decomposition by methane

567

Density functional theory study on the mechanism of CO sensing on Cu2O (1 1 1) surface: Influence of the pre-adsorbed oxygen atom

568

Density functional theory study on the structural properties and energetics of image microclusters

569

Density functional theory study on the structure of bis(1,1-diethyl-3-benzoyl-thioureato) copper(II). Planar or distorted tetrahedral CuS2O2 conformation?

570

Density functional theory study on two-peak emission of Eu2+ activators in Sr2SiO4 Original Research Article

571

Density functional theory study on water–gas-shift reaction over molybdenum disulfide Original Research Article

572

Density functional theory study the effects of point defects in β-In2S3

573

Density functional theory study the reduction of carbon dioxide by terminal TaH complexes

574

Density functional theory with a separable pairing force in finite nuclei Original Research Article

575

Density functional theory, ADME and docking studies of some tetrahydropyrimidine-5- carboxylate derivatives

576

Density Functional Theory, ADME, and Molecular Docking of Some Anthranilic Acid Derivatives as Cyclooxygenase Inhibitors

577

Density functional theory: excited states and spin annihilation

578

Density functional theory: Foundations reviewed

579

Density functional theory: Foundations reviewed

580

Density functional theory-based analysis on O2 molecular interaction with the tri-s-triazine-based graphitic carbon nitride

581

Density functional theory-based analysis on O2 molecular interaction with the tri-s-triazine-based graphitic carbon nitride

582

Density functional vibrational analysis using wavenumber-linear scale factors

583

Density functional/Monte Carlo study of ring-opening polymerization Original Research Article

584

Density functional-based prediction of the electronic, structural, and vibrational properties of the energetic molecule: octanitrocubane

585

Density functionals and model Hamiltonians: Pillars of many-particle physics

586

Density functionals and model Hamiltonians: Pillars of many-particle physics

587

Density functionals and van der Waals interactions at surfaces

588

Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems

589

Density functions of residence times for deterministic and stochastic compartmental systems

590

Density gradient bifurcation in tokamaks

591

Density gradient centrifugation of sperm from a subfertile stallion and effect of seminal plasma addition on fertility

592

Density gradient in SiO2 films on silicon as revealed by positron annihilation spectroscopy

593

Density gradient ultracentrifugation and stability of SWNT–peptide conjugates

594

Density gradients and springback: environmental influences

595

Density gradients and the expansion–shrinkage transition during sintering Original Research Article

596

Density gradients and their determinants: Evidence from India

597

Density gradients in aluminium foams: characterisation by computed tomography and measurements of the effective thermal conductivity

598

Density gradients in packed columns: I. Effects of density gradients on retention and separation speed

599

Density gradients in packed columns: II. Effects of density gradients on efficiency in supercritical fluid separations

600

Density histograms in protein electron crystallography—direct phase determination of bacteriorhodopsin at 6 Å resolution

601

Density Implications of Shift Compensation Postprocessing in Holographic Storage Systems

602

Density improvement of alumina parts produced through selective laser sintering of alumina-polyamide composite powder

603

Density improvement of carbonyl iron compacts by addition of titania powders

604

Density improvement of carbonyl iron compacts by addition of titania powders

605

Density improvement of silicon nanocrystals embedded in silicon carbide matrix deposited by hot-wire CVD

606

Density improvement of the sol–gel dip-coated SnO2 films by chemical surface modification

607

Density improvement of the SRK equation of state

608

Density in locally compact topological groups

609

Density in Relation to Patterns of Built-forms (Case Study: Addis Ababa, Ethiopia)

610

Density in small time at accessible points for jump processes

611

Density induced transition in a school of fish

612

Density Inequalities for Sets of Multiples Original Research Article

613

Density inference for ranking European research systems in the field of economics

614

Density inhomogeneities beneath Deccan Volcanic Province, India as derived from gravity data

615

Density inhomogeneity driven metal–insulator transition in 2D p-GaAs

616

Density irregularities in the plasmasphere boundary layer: Cluster observations in the dusk sector Original Research Article

617

Density limits in helium plasmas at JET

618

Density limits in TEXTOR-94 auxiliary heated discharges

619

Density loss and respiration rates in coarse woody debris of Pinus radiata, Eucalyptus regnans and Eucalyptus maculata

620

Density loss and respiration rates in coarse woody debris of Pinus radiata, Eucalyptus regnans and Eucalyptus maculata

621

Density manifolds, geometric measures and high-energy physics in transfinite dimensions

622

Density mapping of hardened cement paste using ptychographic X-ray computed tomography

623

Density matrices in O(N) electronic structure calculations: theory and applications Original Research Article

624

Density matrix approach to the hot-electron stimulated photodesorption Original Research Article

625

Density matrix calculation of spin 5/2 pure nuclear quadrupole resonance echoes

626

Density matrix for non-Markovian dissipative dynamics: A numerical method

627

Density matrix functional theory in average and relative coordinates

628

Density matrix model for hydrogen transfer in the benzoic acid dimer

629

Density matrix of a quantum field in a particle-creating background Original Research Article

630

Density matrix of anharmonic oscillators by a thermodynamic variation–perturbation technique, a closed form approach

631

Density matrix renormalisation group calculations of molecular exciton energies in poly(p-phenylene vinylene)

632

Density matrix renormalisation group calculations of molecular exciton energies in poly(p-phenylene vinylene)

633

Density matrix renormalization group and reaction-diffusion processes

634

Density matrix renormalization group calculation of optical absorption in conjugated polymers

635

Density matrix theory for reductive electron transfer in DNA

636

Density maximum effect on buoyancy-driven convection of water in a porous cavity with variable side wall temperatures

637

Density Measure in Context Clustering for Distributional Semantics of Word Sense Induction

638

Density measurement of fine aerosol fractions from wood combustion sources using ELPI distributions and image processing techniques

639

Density Measurement of Molten CaF2 by an Electrostatic Levitator

640

Density Measurement of Molten Silicon by a Pycnometric Method

641

Density measurement of size selected multiwalled carbon nanotubes by mobility-mass characterization Original Research Article

642

Density Measurements from the Asymmetry of the Lyman (zeta) Line in a Vacuum Spark Lithium Discharge

643

Density measurements of coal samples by different probe gases and their interrelation

644

Density measurements of compressed dipropyl, dibutyl, bis(2-ethylhexyl) adipates from (293 to 373 K) at pressures up to about 68 MPa

645

Density measurements of potassium phosphate buffer from 4 to 45°C

646

Density measurements on melts at high pressure using the sink/float method: Limitations and possibilities

647

Density minimum in the isotropic–nematic transition of hard cut-spheres

648

Density minoration of a strongly non-degenerated random variable

649

Density model for sodium hydroxide–sodium aluminate solutions

650

Density Modeling of Polymer Solutions with Extended Segment-Based Local Composition Nonrandom Two-Liquid (NRTL), Wilson, and Nonrandom Factor (NRF) Models

651

Density models for streamer discharges: Beyond cylindrical symmetry and homogeneous media

652

Density narrowing effect in the collisional cluster scattering of the light by gases

653

Density near zero

654

Density near zero

655

Density of , and ices at different temperatures of deposition

656

Density of alkali germanate glasses related to structure

657

Density of alkyl esters and its mixtures: A comparison and improvement of predictive models

658

Density of alternative fuel stations and refueling availability

659

Density of asteroids

660

Density of Balanced Convex-polynomials In LP(μ)

661

Density of banana puree as a function of soluble solids concentration and temperature Original Research Article

662

Density of basalt core from Hilo drill hole, Hawaii

663

Density of basaltic melt at high pressure and stability of the melt at the base of the lower mantle

664

Density of basaltic melt at high pressure and stability of the melt at the base of the lower mantle

665

Density of Cape porcupines in a semi-arid environment and their impact on soil turnover and related ecosystem processes

666

Density of Charon formed from a disk generated by the impact of partially differentiated bodies

667

Density of Chlamydia pneumoniae is increased in fibrotic and calcified areas of degenerative aortic stenosis

668

Density of constant radius normal binary covering codes Original Research Article

669

Density of COVID‑19 and mass population movement during long holiday: Simulation comparing between using holiday postponement and no holiday postponement

670

Density of dentinal tubules affects the tensile strength of root dentin

671

Density of Dilates of a Shift Invariant Subspace

672

Density of discontinuities in the heliosphere Original Research Article

673

Density of eigenvalues and its perturbation invariance in unitary ensembles of random matrices Original Research Article

674

Density of electronic states and dispersion of optical functions of defect chalcopyrite CdGa2X4 (X = S, Se): DFT study

675

DENSITY OF ENERGY OF A PERIODICALLY UNSTUCK ELASTIC BEAM

676

Density of Extremal Sets in Multivariate Chebyshev Approximation

677

Density of fallen ash after the eruption of Tambora in 1815

678

Density of Fe-3.5 wt% C liquid at high pressure and temperature and the effect of carbon on the density of the molten iron

679

Density of finite rank operators in the Banach space of p-compact operators

680

Density of first Poincaré returns, periodic orbits, and Kolmogorov–Sinai entropy

681

Density of foliage mass and area in the boreal forest cover in Finland, with applications to the estimation of monoterpene and isoprene emissions

682

Density of Gabor Frames

683

Density of grain boundaries and plasticity size effects: A discrete dislocation dynamics study

684

Density of Guanine Nucleotide-Binding Proteins in Platelets of Patients with Major Depression: Increased Abudance of the Gαi2 Subunit and Down-Regulation by Antidepressant Drug Treatment

685

Density of high-Ti basalt magma at high pressure and origin of heterogeneities in the lunar mantle

686

Density of Imidazoline Receptors in Platelets of Euthymic Patients with Bipolar Affective Disorder and in Brains of Lithium-Treated Rats

687

Density of impurity states in doped spherical quantum dots

688

Density of interface states, excess capacitance and series resistance in the metal–insulator–semiconductor (MIS) solar cells

689

Density of levels in vibrational spectra of molecules. Coupled Morse oscillators Original Research Article

690

Density of liquid NiCrAlMo quarternary alloys measured by a modified sessile drop method

691

Density of macropores as related to soil and earthworm community parameters in cultivated grasslands

692

Density of marine lipids in equilibrium with carbon dioxide

693

Density of mineralisation of lumbar vertebral body bone by digital backscattered electron (BSE)_imaging

694

Density of molten sulfur in the 334–508 K range

695

Density of monodromy actions on non-abelian cohomology

696

Density of MORB eclogite in the upper mantle

697

Density of multicomponent silica-based potential bioglasses: Quantitative structure-property relationships (QSPR) analysis

698

Density of Na2O–(3 − x)SiO2–xGeO2 glasses related to structure

699

Density of normal and associated liquids

700

Density of Normal Elements

701

Density of organic binary mixtures from equilibrium measurements

702

Density of pack-ice seals and penguins in the western Weddell Sea in relation to ice thickness and ocean depth

703

Density of partition function zeroes and phase transition strength Original Research Article

704

Density of Patient-Sharing Networks: Impact on the Value of Parkinson Care

705

Density of peridotite melts at high pressure

706

Density of phonolitic magmas and time scales of crystal fractionation in magma chambers

707

Density of Platelet GPIIb-IIIa and Bleeding Severity in Iranian Patients with Glanzmann’s Thrombasthenia

708

Density of polynomials in certain weighted Dirichlet type spaces

709

DENSITY OF POPULATION AND SPATIAL DISTRIBUTION OF RURAL POPULATION IN THE COASTAL REGION OF MONTENEGRO

710

Density of positive rank fibers in elliptic fibrations Original Research Article

711

Density of prelocalized states in mesoscopic NS systems

712

Density of rocket propellant (RP-1 fuel) at high temperatures and high pressures

713

Density of Ryanodine Receptors is Increased in Sarcoplasmic Reticulum from Prehypertrophic Cardiomyopathic Hamster Heart

714

Density of sets of natural numbers and the Lévy group Original Research Article

715

Density of softwood bark and softwood char: procedural calibration and measurement by water soaking and kerosene immersion method

716

Density of state and effect of external magnetic field on co-existence state of SC and AFM in high- cuprates

717

Density of states and relaxation spectra of etched, H-terminated and naturally oxidized Si-surfaces and the accompanied defects

718

Density of states and the problem of Sm valence

719

Density of states and vibrational modes of PDMS studied by terahertz time-domain spectroscopy

720

Density of states effective mass of n-type CuInSe2 from the temperature dependence of Hall coefficient in the activation regime Original Research Article

721

Density of states evaluations from oscillating/moving grating techniques

722

Density of states in 1D disordered photonic crystals: Analytical solution

723

Density of states in a cylindrical GaAs/AlxGa1−xAs quantum well wire under tilted laser field

724

Density of states in a magnetic field and electron–electron interactions

725

Density of states in hydrogenated amorphous germanium seen via optical absorption spectra

726

Density of states in structurally disordered 1D chains of atoms

727

Density of states in the channel material of low temperature polycrystalline silicon thin film transistors

728

Density of states in the mobility gap of stabilized a-Se from electron time-of-flight photocurrent analysis

729

Density of states induced by a hydrogenic impurity in a metal

730

Density of states near an Anderson transition in a four-dimensional space. Renormalizable models

731

Density of states near Fermi level in PbS nanoparticle films

732

Density of states near the Anderson transition in a space of dimensionality d=4−ε

733

Density of states of a quantum dot array probed by photoluminescence spectra

734

Density of states of a superlattice with a δ defect in the subsurface region

735

Density of states of DNA molecules with varied itinerant electrons

736

Density of states of ensembles of conjugated molecules deduced from the photobleaching and absorption spectra

737

Density of states of the lowest exciton band and the exciton bandwidth in coronene single crystals

738

Density of Superheated and Undercooled Liquid Alumina by a Contactless Method

739

Density of the Commensurability Groups of Uniform Tree Lattices Original Research Article

740

Density of the Commensurability Groups of Uniform Tree Lattices Original Research Article

741

Density of the continental roots: compositional and thermal contributions

742

Density of the Periodic Points in the Interval Set

743

Density of the set of local minimizers for a generic cost function Original Research Article

744

Density of vibrational states of a given symmetry type for octahedral AB6 molecules

745

Density of vitreous silica

746

Density of wavelet frames

747

Density of Yang–Lee zeros and Yang–Lee edge singularity for the antiferromagnetic Ising model Original Research Article

748

Density operators that extremize Tsallis entropy and thermal stability effects

749

Density oscillations in precipitate domains of a propagating Cr(OH)3 ring

750

Density oscillations in systems of colliding heavy ions observed via hard-photon interferometry measurements

751

Density outbursts in a food web model with a closed nutrient cycle

752

Density parameter estimation of skewed α-stable distributions

753

Density patterns of gall mites (Acarina:Eriophyidae) in a polluted area Original

754

Density perturbations in a braneworld universe with dark radiation

755

Density perturbations in multifield inflationary models

756

Density perturbations in the ekpyrotic Universe and string-inspired generalizations

757

Density perturbations in warm inflation and COBE normalization

758

Density prediction and dimensionality reduction of mid-term electricity demand in China: A new semiparametric-based additive model

759

Density prediction of liquid alkali metals and their mixtures using an artificial neural network method over the whole liquid range

760

Density profile and flow of driven gas in an open porous medium with a computer simulation

761

Density profile and flow of miscible fluid with dissimilar constituent masses

762

Density profile and line-of-sight mass contamination of SLACS gravitational lenses

763

Density profile and pressure of a confined fluid with core-softened potential: a one-dimensional model of water in a slit

764

Density profile asymptotes at the centre of dark matter halos

765

Density profile in the magnetosheath adjacent to the magnetopause Original Research Article

766

Density profile of an SNC model Martian interior and the moment-of-inertia factor of Mars

767

Density profiles for dimerizing fluid near a permeable surface

768

Density profiles in the theory of condensation

769

Density profiles of a dimerizing fluid in contact with a crystalline surface

770

Density profiles of associating fluid near a hard wall: PY/EMSA and HNC/EMSA singlet theory

771

Density profiles of dark matter halos with anisotropic velocity tensors

772

Density profiles of hard spheres in a cylinder filled with disordered matrix: application of the Born–Green–Yvon equation

773

Density profiles of oceanic slabs and surrounding mantle: Integrated thermodynamic and thermal modeling, and implications for the fate of slabs at the 660 km discontinuity

774

Density profiles of one-component shielded sticky point fluid near a hard wall

775

Density Profiles, Energy, and Oscillation Strength of a Quantum Dot in Two Dimensions with a Harmonic Oscillator External Potential using an Orbital-free Energy Functional Based on Thomas–Fermi Theory

776

Density propagation for surface tracking

777

Density properties and points of uncountable order for families of open sets in function spaces

778

Density Relaxation of Liquid–Vapor Critical Fluids in Earthʹs Gravity

779

Density results for Gabor systems associated with periodic subsets of the real line Original Research Article

780

Density results using Stokeslets and a method of fundamental solutions for the Stokes equations

781

Density results with linear combinations of translates of fundamental solutions Original Research Article

782

Density scaling of the dynamics of vitrifying liquids and its relationship to the dynamic crossover

783

Density segregation in a vertically vibrated granular bed

784

Density segregation of a binary solids mixture during batch operation in a two-dimensional hopper

785

Density shift, morphological damage, lysosomal fragility and apoptosis of hemocytes of Indian molluscs exposed to pyrethroid pesticides

786

Density simulations in magnetic fluid-based separators

787

Density stratification from buoyancy-driven exchange flow through horizontal partitions in a liquid tank Original Research Article

788

Density studies of liquid alloys SnAg and SnZn with near eutectic compositions

789

Density testing in a contaminated sample

790

Density theorems for ideal points in vector optimization

791

Density variations in scanned probe oxidation

792

Density versions of Schurʹs theorem for ideals generated by submeasures

793

Density wave v.s. magnetic breakdown: Mechanism of high-field phase transition in α-(BEDT-TTF)2XHg(SCN)4

794

Density wave-like charge dynamics in conducting polypyrrole

795

Density waves in a traffic flow model with reaction-time delay

796

Density waves in Cassini UVIS stellar occultations: 1. The Cassini Division

797

Density waves in the Calogero model – revisited Review Article

798

Density waves in the continuum analog of the full velocity difference model

799

Density weighted support vector data description

800

Density yield relationships for rice water weevil on rice for different varieties and under different water management regimes

801

Density zero slaloms Original Research Article

802

Density, connectedness and attentional capture in hierarchical patterns: Evidence from simultanagnosia

803

Density, dielectric constant and PVT measurements of a gas condensate fluid

804

Density, excess volumes and partial volumes of the systems of p-xylene+ethyl acrylate, butyl acrylate, methyl methacrylate, and styrene at 298.15 K

805

Density, heat capacity and thermal conductivity of liquid egg products Original Research Article

806

Density, local composition and diffusivity of aqueous choline chloride solutions: a molecular dynamics study

807

Density, porosity and magnetic susceptibility of the Košice meteorite shower and homogeneity of its parent meteoroid

808

Density, potential and magnetic turbulence measurements by a heavy ion beam probe in tokamak plasmas

809

Density, refractive index and speed of sound for mixtures of ethyl acetate with 2-butanol and 3-methyl-1-butanol: Vapor–liquid equilibrium of the ethyl acetate + 3-methyl-1-butanol system

810

Density, Refractive Index, and Electrical Conductivity of Ternary Mixtures Containing 1,3-Butanediol + Sulfolane (TMS) + Perchlorate Salts at Different Temperatures and Atmospheric Pressure

811

Density, social networks and job search methods: Theory and application to Egypt

812

Density, sound velocity and viscosity properties of aqueous sodium metatungstate solutions and an application of these solutions in heavy mineral separations

813

Density, stress, hardness and reduced Youngʹs modulus of W–C:H coatings

814

Density, structure, and diversity of the cultivable arylsulfatase-producing bacterial community in the rhizosphere of field-grown rape and barley

815

Density, structure, and diversity of the cultivable arylsulfatase-producing bacterial community in the rhizosphere of field-grown rape and barley

816

Density, Surface Tension, and Viscosity of CMSX-4® Superalloy

817

Density, thickness and composition measurements of TiO2–SiO2 thin films by coupling X-ray reflectometry, ellipsometry and electron probe microanalysis-X

818

Density, viscosity and coefficient of thermal expansion of clear grape juice at different soluble solid concentrations and temperatures Original Research Article

819

Density, viscosity, refractive index and electrical conductivity of saturated solutions of the lithium hydroxide + ethanol + water system at 298.15 K, and thermodynamic description of the solid–liquid equilibrium

820

Density, Viscosity, Refractive Index and Excess Properties of Binary and Ternary Solutions of Poly (Ethylene Glycol), Sulfate Salts and Water at 298.15 K

821

Density, viscosity, vapour–liquid equilibrium, excess molar enthalpy, and their correlations of the binary system [1-pentanol + R-(+)-limonene] over the complete concentration range, at different temperatures

822

Density-and-temperature-dependent volume translation for the SRK EOS: 1. Pure fluids

823

Density-and-temperature-dependent volume translation for the SRK EOS: 2. Mixtures

824

Density-based averaging – A new operator for data fusion

825

Density-Based clustering in mapReduce with guarantees on parallel time, space, and solution quality

826

Density-Based Histogram Partitioning and Local Equalization for Contrast Enhancement of Images

827

Density-Based K-Nearest Neighbor Active Learning for Improving Farsi-English Statistical Machine Translation System

828

Density-based microaggregation for statistical disclosure control

829

Density-based retrieval from high-similarity image databases

830

Density-based separation in a vibrated Reflux Classifier with an air-sand dense-medium: Tracer studies with simultaneous underflow and overflow removal

831

Density-based shrinkage for revealing hierarchical and overlapping community structure in networks

832

Density-controlled assimilation of underplated crust, Ivrea-Verbano zone, Italy

833

Density-density correlations in a Luttinger liquid: Lattice approximation in the Calogero-Sutherland model

834

Density-dependence as a size-independent regulatory mechanism

835

Density-dependence in the establishment of juvenile Allium ursinum individuals in a monodominant stand of conspecific adults

836

Density-dependence uncertainty in population models for the conservation management of trout cod, Maccullochella macquariensis

837

Density-dependence uncertainty in population models for the conservation management of trout cod, Maccullochella macquariensis

838

Density-dependent 17O magnetic shielding in the gas phase

839

Density-dependent correlations between properties of nuclear matter and neutron stars in a nonlinear image mean-field approximation Original Research Article

840

Density-dependent dispersal and relative dispersal affect the stability of predator–prey metacommunities

841

Density-dependent dispersion in heterogeneous porous media Part I: A numerical study

842

Density-dependent dispersion in heterogeneous porous media Part II: Comparison with nonlinear models

843

Density-dependent effects of prey defenses and predator offenses

844

Density-dependent effects on seston dynamics and rates of filtering and biodeposition of the suspension-cultured scallop Chlamys farreri in a eutrophic bay (northern China): An experimental study in semi-in situ flow-through systems

845

Density-dependent grazing on the extraradical hyphal network of the arbuscular mycorrhizal fungus, Glomus intraradices, by the collembolan, Folsomia candida

846

Density-Dependent Growth and Life History Evolution of Polycyclic Leaf Pathogens: A Continuous Time Growth Model

847

Density-dependent Hartree–Fock calculations in hypernuclei Original Research Article

848

Density-dependent hydromechanical behaviour of a compacted expansive soil

849

Density-dependent induction and suppression of soldier differentiation in an aphid social system

850

Density-dependent kinetics models for a simple description of complex phenomena in macroscopic mass-balance modeling of bioreactors

851

Density-dependent kinetics models for a simple description of complex phenomena in macroscopic mass-balance modeling of bioreactors

852

Density-dependent matrix yield equation for optimal harvest of age-structured wildlife populations

853

Density-dependent matrix yield equation for optimal harvest of age-structured wildlife populations

854

Density-dependent morphological plasticity in Salvinia auriculata aublet

855

Density-dependent mortality versus spatial segregation in early life stages of Abies densa and Rhododendron hodgsonii in Central Bhutan

856

Density-dependent mother-yearling association in bighorn sheep

857

Density-Dependent Patch Exploitation and Acquisition of Environmental Information

858

Density-dependent Prenatal Androgen Exposure as an Endogenous Mechanism for the Generation of Cycles in Small Mammal Populations

859

Density-dependent regulation of arbuscular mycorrhiza by collembola

860

Density-dependent regulation of arbuscular mycorrhiza by collembola

861

Density-dependent responses of soybean aphid (Aphis glycines Matsumura) populations to generalist predators in mid to late season soybean fields

862

Density-dependent separation of dry fine coal in a vibrated fluidized bed

863

Density-dependent solute transport in discretely-fractured geologic media: is prediction possible?

864

Density-depth model of the continental wedge at the maximum slip segment of the Maule Mw8.8 megathrust earthquake

865

Density-driven compactional flow in porous media

866

Density-driven convection during flooding of warm, permeable intertidal sediments: the ecological importance of the convective turnover pump

867

Density-driven flow and solute transport problems. A 2-D numerical model based on the network simulation method Original Research Article

868

Density-driven instabilities of miscible fluids in a capillary tube: linear stability analysis

869

Density-driven Secondary Circulation in a Tropical Mangrove Estuary

870

Density-functional analysis of the electronic structure of tris-bipyridyl Ru(II) sensitisers

871

Density-functional and density-functional reaction field calculations of the molecular properties of phenol

872

Density-functional bridge between surfaces and interfaces

873

Density-functional calculation of the inner-shell spectra for two stable enol tautomers: acetylacetone and malonaldehyde

874

Density-functional calculations of atomic and molecular adsorptions on 55-atom metal clusters: Comparison with (1 1 1) surfaces

875

Density-functional calculations of graphene interfaces with Pt(1 1 1) and Pt(1 1 1)/RuML surfaces

876

Density-functional calculations of icosahedral M13 (M = Pt and Au) clusters on graphene sheets and flakes

877

Density-functional calculations of NMR shielding constants using the localized Hartree–Fock method

878

Density-functional calculations on DNA–DNA, PNA–DNA and PNA–PNA double strands

879

Density-functional derivatives from exact orbital functionals

880

Density-functional energetics and frontier orbitals analysis for the derivatives of the nonclassical four-membered ring fullerene C62

881

Density-functional investigation of alloyed metallic nanowires Original Research Article

882

Density-functional investigation of the geometries, stabilities, electronic, and magnetic properties of gold cluster anions doped with aluminum: (1 ⩽ n ⩽ 8)

883

Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra

884

Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra

885

Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra

886

Density-functional studies of electronic properties of some conjugated polymers

887

Density-functional study of bcc Pu–U, Pu–Np, Pu–Am, and Pu–Cm alloys

888

Density-functional study of bcc U–Mo, Np–Mo, Pu–Mo, and Am–Mo alloys

889

Density-functional study of impurity-related DX centers in CdF2

890

Density-functional study of liquid methanol

891

Density-functional study of LixMoS2 intercalates (0 ⩽ x ⩽ 1)

892

Density-functional study of luminescence in polypyridine ruthenium complexes

893

Density-functional study of multielectron ionization of sodium clusters by strong femtosecond laser pulses Original Research Article

894

Density-functional study of oxidation at the Mn–Co interface

895

Density-functional study of structural, electronic, and magnetic properties of N-doped ZnnOn (n = 2–13) clusters

896

Density-functional study of the adsorption of benzene on the (1 1 1), (1 0 0) and (1 1 0) surfaces of nickel

897

Density-functional study of the CO adsorption on ferromagnetic Co(0 0 0 1) and Co(1 1 1) surfaces

898

Density-functional study of the CO adsorption on the ferromagnetic fcc Co(0 0 1) film surface

899

Density-functional study of the CO chemisorption on bimetallic Pd–Sn(1 1 0) surfaces

900

Density-functional study of the compressed (2√3 × 2√3)R30°-CO overlayer on the ferromagnetic Co(0001) surface

901

Density-functional study of the compressed (2√3 × 2√3)R30°-CO overlayer on the ferromagnetic Co(0001) surface

902

Density-functional study of the sign preference of the binding of 1-propanol to tungsten oxide seed particles

903

Density-functional study of U–Mo and U–Zr alloys

904

Density-functional study of Zr-based actinide alloys

905

Density-functional study of Zr-based actinide alloys: 2. U–Pu–Zr system

906

Density-functional theoretical study on hydrated DNA duplex: Effect of hydrating water molecules on HOMO distribution in DNA

907

Density-functional theory and ab initio Hartree–Fork studies on the structural parameters and chemical activity of the free radicals generated by benzoquinone and hydroquinone Original Research Article

908

Density-Functional Theory and Experimental Evaluation of Inhibition Mechanism of Novel Imidazo[4,5-b]pyridine Derivatives

909

Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics Original Research Article

910

Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite Original Research Article

911

Density-functional theory characterization of acid sites in chabazite

912

Density-functional theory for attraction between like-charged plates

913

Density-Functional Theory for Complex Fluids

914

Density-functional theory investigation of oxidative corrosion of UO2

915

Density-functional theory of elastically deformed finite metallic system: Work function and surface stress

916

Density-functional theory of potassium atoms in zeolite

917

Density-functional theory studies of pyrite FeS2 (1 1 1) and (2 1 0) surfaces

918

Density-functional theory studies of pyrite FeS2(1 0 0) and (1 1 0) surfaces

919

Density-functional theory studies on microscopic processes of gaas growth

920

Density-functional theory studies on standard electrode potentials of half reaction for l-adrenaline and adrenalinequinone

921

Density-functional theory study of Aln and Aln−1Mg (n = 2–17) clusters

922

Density-functional theory study of interactions between water and carbon monoxide adsorbed on platinum under electrochemical conditions

923

Density-functional theory study of long-range ferromagnetic properties in Mg-doped SiC

924

Density-functional theory study of the reaction pathway for methanol demethanation on (n = 3,4)

925

Density-functional theory study on ferromagnetism in N:ZnS

926

Density-functional theory using an optimized exchange-correlation potential

927

Density-functional tight-binding for beginners

928

Density-functional tight-binding molecular dynamics simulations of SWCNT growth by surface carbon diffusion on an iron cluster Original Research Article

929

Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure

930

Density-functional-based tight-binding approach to polarons in conjugated polymers

931

Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution

932

Density-improved powder metallurgical ferritic stainless steels for high-temperature applications

933

Density-independent folding analysis of the 6,7 Li elastic scattering at intermediate energies Original Research Article

934

Density-induced heterodyne-amplified rotational dynamics: a new technique for studying orientational relaxation

935

Density-induced margin support vector machines

936

Density-labelling of cell wall polysaccharides in cultured rose cells: comparison of incorporation of 2H and 13C from exogenous glucose Original Research Article

937

Density-matrix approach to dynamics of multilevel atoms in laser fields

938

Density-matrix approach to dynamics of multilevel atoms in laser fields

939

Density-matrix renormalization group for fermions: Convergence to the infinite-size limit Original Research Article

940

Density-matrix renormalization study of the Hubbard model on a Bethe lattice

941

Density-metric unimodular gravity: Vacuum maximal symmetry Original Research Article

942

Density-of-states distribution in AlGaN obtained from transient photocurrent analysis

943

Density-of-states in microcrystalline silicon from thermally-stimulated conductivity

944

Density–property relationships in collagen–glycosaminoglycan scaffolds

945

Density–property relationships in mineralized collagen–glycosaminoglycan scaffolds

946

Density-sensitive whole-field flow measurement by optical speckle photography

947

Density–structure correlations in fluoride-containing bioactive glasses

948

Density–structure correlations in Na2O–CaO–P2O5–SiO2 bioactive glasses

949

Density–structure relations in mixed-alkali borosilicate glasses by 29Si and 11B MAS–NMR

950

Density-to-potential map in time-independent excited-state density-functional theory

951

Dent et irradiation : denture et conséquences sur la denture de la radiothérapie des cancers de la tête et du cou

952

Dent et irradiation : prévention et traitement des complications dentaires de la radiothérapie y compris l’ostéoradionécrose

953

Dentability indices with respect to measures of non-compactness

954

Dental abnormalities in children of fathers with substance use disorders

955

Dental Abnormalities in Pituitary Dwarfism: A Case Report and Review of the Literature

956

Dental abscess: A microbiological review

957

Dental adhesion review: Aging and stability of the bonded interface

958

Dental adhesives with bioactive and on-demand bactericidal properties

959

Dental aesthetics — a survey of attitudes in different groups of patients

960

Dental age assessment among a group of children in Tanta city

961

Dental Age Assessment: Validity of the Nolla Method in a Group of Western Turkish Children

962

Dental Age Estimation by Means of Video Spectral Comparator

963

Dental Age Estimation in Southern Turkish Children: Comparison of Demirjian and Willems Methods

964

Dental Age Estimation of 6-14-Year-Old Guilanian Children Using Demirjian’s Method

965

Dental Amalgam and Selenium in Blood

966

Dental Amalgam: Do We Have Enough Proves "pro" et "contra"

967

Dental anaesthesia in a patient with Noonan syndrome

968

Dental and Anaesthetic Challenges in a Patient with Dystrophic Epidermolysis Bullosa

969

Dental and Craniofacial Applications of Platelet-Rich Plasma, R.E. Marx, A.R. Garg. Quintessence, UK. Price £58-00, ISBN: 0867154322.

970

Dental and Gingival Status of 5 and 12-Year-Old Children in Jakarta and Its Satellite Cities

971

Dental and periodontal disease in hemodialysis patients is associated with inflammation; a study from North India

972

Dental and periodontal disease in patients with cirrhosis - role of etiology of liver disease

973

Dental and periodontal health status of subjects with sickle cell disease

974

Dental and skeletal changes during pressure garment use in facial burns: A systematic review

975

Dental and skeletal characterization of the BR-1 minipig

976

Dental and skull anomalies in feral coypu, Myocastor coypus

977

Dental Anomalies and Dental Age Assessment in Treated Children with Acute Lymphoblastic Leukemia

978

DENTAL ANOMALIES OF PERMANENT INCISORS AND PREMOLARS

979

Dental anxiety among adult patients and its correlation with self-assessed dental status and treatment needs

980

Dental anxiety in Danish and Chinese adults—A cross-cultural perspective

981

Dental Anxiety: The Prevalence and Related Factors among 7-14-year-old Children in Yazd, Iran

982

Dental approach to erosive tooth wear in gastroesophageal reflux disease

983

Dental Arch Dimension of Malay Ethnic Group

984

Dental Arch Dimensions of Nigerian Children with Hypertrophied Adenoids

985

Dental Arch Morphology in Iranian Population

986

Dental Arch Morphology in Iranian Population

987

Dental Articles Receiving the Most Online Attention in 2018

988

Dental Assessment of Patients with Head-Neck Cancer Prior to Anticancer Therapy: Review of 35 Cases

989

Dental Benefits Improve Access to Oral Care

990

Dental biomaterials and the healing of dental tissue

991

Dental Biomechanics: Arturo N. Natali; Taylor & Francis, London, 2003, 271pp, ISBN: 0-415-30666-3 (hardback), $104.00

992

Dental biomechanics: Edited by Arturo N. Natali (multiple author contribution)

993

Dental biometrics: Human identification based on teeth and dental works in bitewing radiographs

994

DENTAL CALCULUS ACCUMULATION DUE TO MALNUTRITION IN THE PRIMARY DENTITION A RARE CASE

995

Dental Care and Children with Special Health Care Needs: A Population-Based Perspective

996

Dental Care for Patients During the Covid-19 Outbreak: A Literature Review

997

Dental Care for Patients Who Are Unable to Open Their Mouths

998

dental care provision in private clinics: an introductory explanation for dental manpower estimation and dentistry educational needs assessment

999

Dental care satisfaction among adult population in Isfahan, Iran and its influencing factors

1000

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