ليست عنوان مقالات لاتين Ab initio molecular orbital study of the mechanism of SO2 oxidation catalyzed by carbon Original Research Article Abduction–induction (generalization) processes of elementary majors on figural patterns in algebra

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1

Ab initio molecular orbital study of the mechanism of SO2 oxidation catalyzed by carbon Original Research Article

2

Ab initio molecular orbital study of the O(1D) insertion into the C–C bond in cyclopropane and ethane

3

Ab initio molecular orbital study of the substituent effect on phosphine–borane complexes

4

Ab initio molecular orbital study of the weak C̃2A′←X̃2A′ transition of the vinyl radical

5

Ab initio molecular orbital study on atmosphere-sensitive characteristics of the alternate supply OMVPE growth of ZnSe

6

Ab initio molecular orbital study on the H2 loss reaction from ethane cation, C2H6+

7

Ab initio molecular orbitals studies and NBO analysis of conformational preference in 2-hydroxypiperidine

8

Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides

9

Ab initio molecular simulations with numeric atom-centered orbitals Original Research Article

10

Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen

11

Ab initio molecular treatment of charge transfer processes induced by collision of C2+ ions with the OH radical: A linear approach

12

Ab initio molecular-dynamics simulation method for complex liquids Original Research Article

13

Ab initio Monte Carlo simulations for finite-temperature properties: application to lithium clusters and bulk liquid lithium

14

Ab initio Monte Carlo: application to Li8

15

Ab initio MO–VB study of water dimer Original Research Article

16

Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives Original Research Article

17

Ab initio MP2 and FTIR matrix isolation studies on tert-butanethiol complexes with water

18

Ab initio MP2/GIAO/NBO study of the d-syn-axial effect in 13C NMR spectroscopy

19

Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C–O and C–Cl cleavage

20

Ab initio MRD-CI study on the low-lying excited states of ClNO2

21

Ab initio MRSD-CI calculations of the ground and the two lowest-lying excited states of pyrene

22

Ab initio MRSDCI calculations of the g-tensor components of [Cu(H2O)6]2+ complexes

23

Ab initio NMR chemical shieldings in the neutral and charged 7-phosphabicyclo[2.2.1]heptane, -heptene, and -heptadiene systems; the largest predicted downfield shift for a conventional organophosphorus molecule Original Research Article

24

Ab initio NMR chemical shift calculations on proteins using fragment molecular orbitals with electrostatic environment

25

Ab initio no core shell model

26

Ab initio no core shell model

27

Ab initio no-core shell model calculations using realistic two- and three-body interactions

28

Ab initio No-Core Shell Model --Recent results and future prospects

29

Ab initio non-adiabatic coupling elements: Conical intersections of the C2H2 molecule

30

Ab initio non-adiabatic coupling elements: the conical intersection between the 22A′ and the 32A′ of the H+H2 system

31

Ab initio nonadiabatic coupling elements: the conical intersection between the three lower states of the {H2O} system

32

Ab Initio nonlinear optical properties of polyacetylene from finite oligomer calculations

33

Ab Initio nuclear shielding calculations of a model α-(1 → 4)-glucan

34

Ab initio nuclear shielding parameters and spin-rotation coupling constants of FBO, ClBO and FBS

35

Ab initio optical properties of BN in the cubic and in the layered hexagonal phase

36

Ab initio oscillator strengths and transition probabilities in aluminum-like calcium, Ca VIII

37

Ab initio oscillator strengths and transition probabilities of transitions from 2s22p23l and 2s2p33l in S X

38

Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of

39

Ab initio path integral Monte Carlo simulations for water trimer with electron correlation effects

40

Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules

41

Ab initio path integral simulation study on 16O/18O isotope effect in water and hydronium ion

42

Ab initio path integral study of isotope effect of hydronium ion

43

Ab initio phasing of high-symmetry macromolecular complexes: successful phasing of authentic poliovirus data to 3.0 Å resolution

44

Ab initio phonon calculations for L12 Ni3Al and B2 NiAl

45

Ab initio phonon dispersion calculations for TixGanAsm and TixGanPm compounds

46

Ab initio phonon dispersions for PbTe

47

Ab initio polarizabilities calculations of singly charged polyacetylene oligomers

48

Ab initio polarizabilities of polyenic chains with conformational defects

49

Ab initio potential curves for the , and states of

50

Ab initio potential curves for the and states of : Existence of a double minimum

51

Ab initio potential curves of the fragments and diatomics-in-molecules potential energy surfaces for the SH⋯Kr complex

52

Ab initio potential energy curves and transition dipole moments for the low-lying states of CH+

53

Ab initio potential energy curves and transition dipole moments for the X 2Σ+, A 2Π and B′ 2Σ+ states of MgH

54

Ab initio potential energy surface and bound states of the Ar–BH complex

55

Ab initio potential energy surface and bound states of the Xe–HF complex

56

Ab initio potential energy surface and molecular dynamics simulations for the determination of the diffusion coefficient of water in silicalite-1

57

Ab initio potential energy surface and rotationally inelastic collisions of hydroxide of lithium (LiH) with argon (Ar): State-to-state inelastic rotational cross section

58

Ab initio potential energy surface and rovibrational bound states for the Kr–HCCCN complex

59

Ab initio potential energy surface and rovibrational spectra of Ne–N2O

60

Ab initio potential energy surface and rovibrational states of HBO

61

Ab initio potential energy surface and vibrational energies of Li3−

62

Ab initio potential energy surface and vibrational frequencies of Ã(1A″) HCF

63

Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas

64

Ab initio potential energy surface for the low-frequency out-of-plane bending motions of the water trimer

65

Ab initio potential energy surface for the reaction of O(3P) with CH2F

66

Ab initio potential energy surface of NeOCS

67

Ab initio potential energy surface of the Ne…CO complex

68

Ab initio potential energy surfaces for the 1A′ and 3A′ states of the MgH(X2Σ+) + H(2S) system

69

Ab initio potential energy surfaces for the I(2P3/2)+O2(a 1Δg)⇔I(2P1/2)+O2(X 3Σ−g) energy transfer process

70

Ab initio potential energy surfaces for the large-amplitude motions of quasi-symmetric top molecules: CH3NCS and SiH3NCO

71

Ab initio potential energy surfaces for the study of rotationally inelastic collisions

72

Ab initio potential energy surfaces of large-amplitude motions for quasi-symmetric top molecules: CH3NCO

73

Ab initio potential functions for the ionic states of OH

74

Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+

75

Ab initio powder structure analysis and theoretical study of two thiazole derivatives

76

Ab initio prediction for the ionic conduction of lithium in and olivine materials

77

Ab initio prediction of elastic and thermal properties of cubic TiO2

78

Ab initio prediction of extremely large first hyperpolarizability of polyphosphaacetylene and polyphosphasilyne

79

Ab initio prediction of molecular crystal structures

80

Ab initio prediction of polypeptide structure from its sequence Original Research Article

81

Ab Initio Prediction of Spectroscopic Constants of CaN in the Lowest 2, 4-, 2-, and 4 Electronic States: A Potential Candidate for the First Calcium-bearing Interstellar Molecule

82

Ab initio prediction of superconductivity in molecular metallic hydrogen under high pressure

83

Ab initio prediction of the first and second pressure derivatives of isothermal bulk modulus for the high-pressure rocksalt phase of ZnO

84

Ab initio prediction of the Li5Ge2 Zintl compound

85

Ab initio prediction of the spectra of carbon cumulenes Original Research Article

86

Ab initio prediction of the spectroscopic constants of NaN: Another potential candidate for a new Na-bearing interstellar molecule

87

Ab initio prediction of the structure and energetics of the complexes of 1-nitro-1-(4-nitrophenyl)ethane and TBD and MTBD bases

88

Ab initio prediction of the structure and energetics of the complexes of 4-nitrophenyl[bis(methylsulfonyl)]methane and TBD base in vacuo and acetonitrile solvent

89

Ab initio prediction of thermodynamically feasible reaction directions from biochemical network stoichiometry

90

Ab initio prediction of vibrational states of the HeCuF helium-containing complex

91

Ab initio predictions of ferroelectric ternary fluorides with the LiNbO3 structure

92

Ab initio predictions of large hyperpolarizability push-pull polymers. Julolidinyl-n-isoxazolone and julolidinyl-n-N,N′-diethylthiobarbituric acid

93

Ab initio predictions of potassium partitioning between Fe and Al-bearing MgSiO3 perovskite and post-perovskite

94

Ab initio predictions of the lowest electronic states, structures vibrational frequencies of phenylphosphinidene

95

Ab initio predictions of zeolite structures and 29Si NMR chemical shifts

96

Ab initio propagator analysis of triple-charge-transfer spectra for carbon disulphide

97

Ab initio properties and potential energy surface of the ground electronic state of

98

Ab initio properties of gaseous helium

99

Ab initio pseudopotential calculations for the electronic and geometric structures of hydrogen covered Si(1 1 4)-(2 1)

100

Ab initio pseudopotential calculations for the geometry and electronic structure of Si(1 1 4)-c(2 × 2)

101

Ab initio pseudopotential calculations on the effect of Mn doped on lattice parameters of L10 TiAl

102

Ab initio pseudopotential studies of the pressure dependences of structural, electronic and optical properties for GaN

103

Ab initio pseudopotential study of dehydrogenation of methanol on oxygen modified Ag(110) surface

104

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory Original Research Article

105

Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution

106

Ab initio QM/MM molecular dynamics simulations of Ru3+ in aqueous solution

107

AB INITIO QUANTUM CHEMICAL ANDMIXED QUANTUMMECHANICS/MOLECULAR MECHANICS (QM/MM)METHODS FOR STUDYING ENZYMATIC CATALYSIS

108

Ab initio quantum chemical investigation of several isomers of anionic Si6

109

Ab initio quantum chemical predictions of enthalpies of formation, heat capacities, and entropies of gas-phase energetic compounds

110

Ab initio quantum chemical study of electron transfer in carboranes

111

Ab initio quantum mechanical investigation of the photodissociation of HI and DI

112

Ab initio quantum mechanics; Deshielding; GIAO NMR shielding; Phosphorus NMR shielding; Second order many-body perturbation theory

113

Ab initio quantum-chemical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method

114

Ab initio quantum-mechanical modeling of pyrophyllite [Al2Si4O10(OH)2] and talc [Mg3Si4O10(OH)2] surfaces

115

Ab initio quasidiabatic states for the reaction N + CH → NC + H Original Research Article

116

Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states

117

Ab initio replica-exchange Monte Carlo method for cluster studies

118

Ab initio research on third-order nonlinear optical properties of linear complexes [M(I)(PH3)2]+(M=Cu, Ag, Au)

119

Ab initio R-matrix/multi-channel quantum defect theory applied to molecular core excitation and ionization

120

Ab initio ro-vibrational levels of H3+ beyond the Born-Oppenheimer approximation

121

Ab initio RTM/NEGF study on electron transport through single molecules

122

Ab initio SCF and DFT models of met-car adducts: Ti8C12(L)n (L = Cl, NH3, CO, C6H6; n = 4, 8)

123

Ab initio SCF calculations of Ti8C12(H2O)8 and Ti8C12(C2H4)4.: An investigation on reactions of titanium–carbon cluster

124

ab initio SCF-MO study of structures of diazocine isomers

125

Ab initio SCRF study of the tautomeric equilibrium of 2-thiopyrimidine

126

Ab initio search for global minimum structures of neutral and anionic B4H5 clusters. Optical isomerism in B4H5 and

127

Ab initio simulation of and

128

Ab initio simulation of copper and silver adsorption on the MgO(1 1 1) surface

129

Ab initio simulation of defects in energetic materials. Part I. Molecular vacancy structure in RDX crystal Original Research Article

130

Ab initio simulation of diamond epitaxial growth on copper

131

Ab initio simulation of p-type silicon crystals

132

Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces

133

Ab initio simulation of the BaZrO3 (0 0 1) surface structure

134

Ab initio simulation of the fundamental vibrational frequencies of selected pyrite-type pnictides

135

Ab initio simulation of titanium dioxide clusters

136

Ab initio simulation of yttrium oxide nanocluster formation on fcc Fe lattice

137

Ab initio simulation on ideal shear strength of silicon

138

Ab initio simulation on the crystal structure and elastic properties of carbonated apatite

139

Ab initio simulation on the mechanism of proton transport in water

140

Ab initio simulations and STM-images for Co/Pt(1 1 0) surfaces

141

Ab initio simulations and STM-images for Co/Pt(1 1 0) surfaces

142

Ab initio simulations of clustering and precipitation in Al–Mg–Si alloys

143

Ab initio simulations of iron–nickel alloys at Earthʹs core conditions

144

Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride

145

Ab initio simulations of p-type porous silicon nanostructures

146

Ab initio simulations of silicene hydrogenation

147

Ab initio simulations of sulfuric acid solutions

148

Ab initio simulations of the NMR spectra of β-alanine conformers

149

Ab initio simulations on AgCl(1 1 1) surface and AgCl(1 1 1)/α-Al2O3(0 0 0 1) interface

150

Ab initio simulations on the atomic and electronic structure of single-walled BN nanotubes and nanoarches Original Research Article

151

Ab initio simulations on the behavior of small ion clouds in the WITCH Penning trap system

152

Ab initio simulations on the behavior of small ion clouds in the WITCH Penning trap system

153

Ab initio SOFA quantum dynamics for chemical reaction

154

Ab initio spectroscopy of Van der Waals molecules: a comparison of three different theoretical methods applied to NeHF and NeDF

155

Ab initio structural and energetic study of image (image, Ga) perovskites Original Research Article

156

Ab initio structural, electronic and optical properties of orthorhombic image

157

Ab initio structure and energetics of Pu(OH)4 and Pu(OH)4(H2O)n clusters: Comparison between density functional and multi-reference theories

158

Ab Initio Structure Determination and Functional Characterization Of CBM36: A New Family of Calcium-Dependent Carbohydrate Binding Modules

159

Ab initio structure determination and Rietveld refinement of Bi10Mo3O24 the member n=3 of the Bi2n+4MonO6(n+1) series

160

Ab Initio Structure Determination of a New Compound, BETA-SrGaBO4, from Powder X-Ray Diffraction Data,

161

Ab Initio Structure Determination of Lanthanum Cyclo-tetratungstate ALPHA-La2W2O9 from X-ray and Neutron Powder Diffraction

162

Ab Initio Structure Determination of New Compound LiAlB2O5

163

Ab Initio Structure Determination of New Mixed Zirconium Hydroxide Nitrates ZrM(OH)2(NO3)3 (M=K, Rb) from X-Ray Powder Diffraction Data

164

Ab initio structure determination of novel borate NaSrBO3

165

Ab initio structure determination of novel small-pore metal-silicates: knots-and-crosses structures

166

Ab initio structure determination via powder X-ray diffraction

167

Ab initio structure modeling of ZrO2 nanosheets and single-wall nanotubes

168

Ab initio structure solution by charge flipping

169

Ab Initio Structure Solution of BaFeO2.8-delta, a New Polytype in the System BaFeOy (2.5less thanyless than3.0) Prepared from the Oxidative Thermal Decomposition of BaFe[(CN)5NO]·3H2O

170

Ab initio structure study from in-house powder diffraction of a novel ZnS(EN)0.5 structure with layered wurtzite ZnS fragment

171

Ab initio structures and energetics of selected hydrogenated silicon clusters containing six to ten silicon atoms

172

Ab initio structures of (M2) and (M3) VO2 high pressure phases

173

Ab initio studies of (H2O)20H+ and (H2O)21H+ prismic, fused cubic and dodecahedral clusters: can H3O+ ion remain in cage cavity?

174

Ab initio studies of adsorption and migration surface processes on an α-Al2O3 surface

175

Ab initio studies of AgHe exciplex

176

Ab initio studies of amorphous carbon films

177

Ab initio studies of effect of intercalation on the properties of single walled carbon and gallium phosphide nanotubes

178

Ab initio studies of elastic properties and electronic structures of C and BN nanotubes

179

Ab initio studies of electronic and optical properties of graphene and graphene–BN interface

180

Ab initio studies of excited electronic state S2 of pyrazine and Franck–Condon simulation of its absorption spectrum

181

Ab initio studies of fullerene effect on chemical properties of naphazoline drop

182

Ab initio studies of half-metallic ferromagnetism in carbon-doped

183

Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface

184

Ab initio studies of hydrogen desorption from low index magnesium hydride surface

185

Ab initio studies of hydrogen-bonded complexes: The H2O dimer, trimer and H2OCO

186

Ab initio studies of hyperconjugation effects on charge distribution in tetracyclododecane alcohols

187

Ab initio studies of hyperconjugation effects on charge distribution in tetracyclododecane alcohols

188

Ab initio studies of MHen+(M=Be, Mg; n=1–4) complexes

189

Ab initio studies of Mo-based alloys: Mechanical, elastic, and vibrational properties

190

Ab initio studies of Nb doping effect on the formation of oxygen vacancy in rutile TiO2 Original Research Article

191

Ab initio studies of optical and magneto-optical spectra in 3d- and 4f-atom-based compounds

192

Ab initio studies of phonons in MgO by the direct method including LO mode Original Research Article

193

Ab initio studies of single-height Si(001) steps

194

Ab initio studies of single-height Si(001) steps

195

Ab initio studies of staggered Li adatoms on graphene

196

Ab initio studies of structural, elastic and thermal properties of copper indium dichalcogenides (CuInX2: X = S, Se, Te)

197

Ab initio studies of structural, electronic, optical and thermal properties of CuAlS2 chalcopyrite

198

Ab initio studies of structural, electronic, optical, elastic and thermal properties of silver gallium dichalcogenides (AgGaX2: X = S, Se, Te)

199

Ab initio studies of ternary semiconductor BeB2C2

200

Ab initio studies of Th3N4, Th2N3 and Th2N2(NH)

201

Ab initio studies of the allylic hydroxylation: DFT calculation on the reaction of 2-methyl-2-butene with selenium dioxide

202

Ab initio studies of the conformations of water hexamer: modelling the penta-coordinated hydrogen-bonded pattern in liquid water

203

Ab initio studies of the cubic boron nitride (1 1 0) surface

204

Ab initio studies of the dipole moment and polarizability of azulene in its ground and excited singlet states

205

Ab initio studies of the oxidation of methane with oxo-metal cations

206

Ab initio studies of the properties of intracellular thiols ergothioneine and ovothiol

207

Ab initio studies of the properties of some halogen-bonded complexes of ammonia, water, phosphine and hydrogen sulphide

208

Ab initio studies of the Si1−xGex alloy and its intrinsic defects

209

Ab initio studies of the static electronic first hyperpolarizability of polysilanenitrile

210

Ab initio studies of the structure, physicochemical properties and behavior of lead chlorides and chloroplumbate anions in gaseous and aqueous phases

211

Ab initio studies on acidity and tautomeric equilibrium constants of some benzoxa-, benzothia-, benzoselena-zolinone derivatives

212

Ab initio studies on magnetism and hybridization of the ternary germanide

213

Ab initio studies on modulus of elasticity of modified polycarbonates

214

Ab initio studies on photochemical reactions of Al atoms with H2 molecules

215

Ab initio studies on structures of the hexa-coordinate phosphorus intermediate for the phosphoryl ester exchange and N → O migration reactions of dimethyloxyphosphoryl-threonine

216

Ab initio Studies on Synthetic Routes of Glycine from Simple Molecules via Ammonolysis of Acetolactone: Applications of the Scaled Hypersphere Search Method

217

Ab initio studies on the electronic structure of

218

Ab Initio Studies on the Interplay between Unconventional B···X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2···XCN···YF (X = Cl, Br; Y = Li, H, Cl) Complexes

219

Ab initio studies on the magnetic phase stability of iron Original Research Article

220

Ab initio studies on the mechanism of the cycloaddition reaction between ketene imine and formaldehyde — catalytic and solvent effects

221

Ab initio studies on the stability, magnetic property and electronic structure of the molecule-based magnet: [Mn2(dpp)2(H2O)2Cl4] ⋅ 2H2O,dpp=2,3-bis(2-paridyl) pyrazine

222

Ab initio studies on the structural and magnetic properties of RhH

223

Ab initio studies on the structures and isomerization of the carbenoids CH2LiX (X = F, Cl)

224

Ab initio studies on the structures and vertical electron detachment energies of copper-water negative ion clusters Cu−(H2O)n and CuOH−(H2O)n−1

225

Ab initio studies on the tri- and diphosphate fragments of adenosine triphosphate Original Research Article

226

Ab initio studies toward understanding photoisomerization of acrylic acid in the gas phase

227

Ab Initio Studies: effect of various substituted on structural parameters and charge transfer energy of the Nafazolin drug and its nano carrier on fullerene

228

Ab initio study and spectral simulation of the photodetachment processe of dichlorocarbene anion

229

Ab initio study for reactions of BrO with BrO, OBrO, and Br2O2

230

Ab initio study for the effect of hydrogen bonds in the intermolecular interaction between high-spin molecules

231

Ab initio study for the intermolecular potential of the water–nitric oxide complex

232

Ab initio study of (CO2)n−: structures and stabilities of isomers

233

Ab initio study of 〈1 1 1〉 {1 1 0} superdislocation properties in B2-MgRE (RE = La–Er) intermetallics

234

Ab initio study of 1,3-dioxanes formation from formaldehyde dimer and alkenes

235

Ab initio study of 2,3,7,8-tetrachlorinated dibenzo-p-dioxin adsorption on single wall carbon nanotubes

236

Ab initio study of 2,4-dihalosubstituted malonaldehyde and 2-halo-phenols in gas phase and solution Original Research Article

237

Ab initio study of 3C-SiC/M (M = Ti or Al) nano-hetero interfaces

238

Ab initio study of 5d-shells Ir substitution for Fe-based SmOFe1−xIrxAs Original Research Article

239

Ab initio study of absorption and emission spectra of PM567

240

Ab initio study of adsorption properties of hazardous organic molecules on graphene: Phenol, phenyl azide, and phenylnitrene

241

Ab initio study of AgNH3 and its cation

242

Ab initio study of AlCu2M (M = Sc, Ti and Cr) ternary compounds under pressures

243

Ab initio study of ammonia adsorption states on an ice surface I: structures, adsorption energies and linear dependences on coverage ratio

244

Ab initio study of ammonia adsorption states on an ice surface II: theoretical characterization of the surface bound state

245

Ab initio study of antisite defective layered Ge2Sb2Te5

246

Ab initio study of atomic Cl adsorption on stoichiometric and reduced rutile TiO2 (110) surfaces

247

Ab initio study of atomic geometry and electronic states of GaSb(0 0 1) reconstructions

248

Ab initio study of AunIr (n = 1–8) clusters

249

Ab initio study of B32 clusters: competition between spherical, quasiplanar and tubular isomers

250

Ab initio study of band strength distribution for the D2Σ+–A2Π transition of AlO and the effect of R dependence of the electronic transition moment on the distribution

251

Ab initio study of band strengths for the F2Σ+–A2Π electronic transition of AlO

252

Ab initio study of base-functionalized single walled carbon nanotubes

253

Ab initio study of basic material properties of Fe, Co, and Ni ferromagnetic crystals

254

Ab initio study of Be (101̄0) surface dynamical properties

255

Ab initio study of benzene adsorption on the Cu(1 1 0) surface and simulation of STM images

256

Ab initio study of BF3+(HF)1–7 clusters

257

Ab initio study of BN nanoarchesʹ surfaces

258

Ab initio study of breakdown of the Condon approximation in the F2Σ+–A2Π electronic transition of AlO

259

Ab initio study of BrO3 isomers

260

Ab initio study of C20 isomers: geometry and vibrational frequencies

261

Ab initio study of C4O4 in Td symmetry

262

Ab initio study of C9 and LaC9+ clusters

263

Ab initio study of cation disorder in dolomite

264

Ab Initio Study of CeIn3 Intermetallic Compound Under Pressure by Electrnic structure calculations

265

Ab Initio Study of Chirality Effects Onphonon Spectra, Mechanical and Thermal Properties of Nearly Samediameter Single Wall Carbon Nanotubes

266

Ab initio study of Cmca phase of Bi50Sn50 ordered alloy

267

Ab initio study of CNT NO2 gas sensor

268

Ab initio study of CO adsorption on PdGa(1 1 0)

269

Ab initio study of CO2 −⋅CO2↔C2O4 − isomerization

270

Ab initio study of coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) explosive

271

Ab initio study of collisions between Li and C60

272

Ab initio study of competitive hydride formation in zirconium alloys

273

Ab initio study of complexes pairing HRgX and H2 (Rg = Ar, Kr and X = F, Cl, CN)

274

Ab initio study of confinement and surface effects in hexagonal AlN nanotubes

275

Ab initio study of covalently functionalized carbon nanotubes

276

Ab initio study of cyanoguanidine isomers

277

Ab initio study of defect properties in YPO4

278

Ab initio study of dipolar defects and 180° domain walls in PbTiO3 Original Research Article

279

Ab initio study of dispersion of optic-like modes in a molten salt: Effect of ion polarization

280

Ab initio study of dititanium endofullerenes: D5d- and D5h-Ti2@C80

281

Ab initio study of effects of Al and Y co-doping on destabilizing of MgH2

282

Ab initio study of elastic properties of super hard and graphitic structures of C3N4

283

Ab initio study of electronic and optical properties of Be-chalcogenides in GW approximation

284

Ab initio study of electronic densities of states at copper–alumina interfaces Original Research Article

285

Ab initio study of electronic density of state and photoabsorption of Ga1−xMnxAs under pressure

286

Ab initio study of electronic properties of zincblende AlN and deformation potentials under hydrostatic stress

287

Ab initio study of electronic structure and magnetic properties of MFe3N (M = Ru and Os)

288

Ab initio study of electronic structure of strained Si1-x-yGexCy/Ge(00I)

289

Ab initio study of electronic structures and absorption properties of pure and Fe3+doped anatase TiO2

290

Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom Original Research Article

291

Ab initio study of electronic structures of InAs and GaSb nanowires along various crystallographic orientations

292

Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate

293

Ab initio study of electron–phonon coupling and excitonic linewidth in GaAs under pressure and in GaP

294

Ab initio study of element 113–gold interactions

295

Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces

296

Ab initio study of energies, structures and vibrational spectra of the complexes of water with carbon oxysulfide and nitrous oxide

297

Ab initio study of energy-level alignments in polymer-dye blends

298

Ab initio study of ethylene insertion into M–C bonds of alkylamidinates complexes of group IV ({R′NCRNR′}2MCH3+, M=Zr, Ti, R=H, Ph and R′=H, SiMe3)

299

Ab initio study of Eu3+–L (L=H2O, H2S, NH2CH3, S(CH3)2, imidazole) complexes

300

Ab initio study of excited electronic states and vibronic spectra of phenyl radical

301

Ab initio study of excited-state intramolecular proton dislocation in salicylic acid Original Research Article

302

Ab initio study of exciton transfer dynamics from a core–shell semiconductor quantum dot to a porphyrin-sensitizer

303

Ab initio study of Fe-doped SnO: Local structure and hyperfine interactions at the Fe nucleus Original Research Article

304

Ab initio study of ferromagnetic La0 × 5Ba0 × 5CoO3

305

Ab initio study of field emission from hydrogen defects in diamond subsurfaces

306

Ab initio study of formation energy and magnetism of sigma phase in Cr–Fe and Cr–Co systems

307

Ab initio study of gas phase and water-assisted tautomerization of maleimide and formamide

308

Ab initio study of gas phase and water-assisted tautomerization of maleimide and formamide

309

Ab initio study of graphite prismatic surfaces

310

Ab initio study of H photodetachment from the ethyl radical

311

Ab initio study of H+ + H2 collisions: Elastic/inelastic and charge transfer processes

312

Ab initio study of helium behavior in titanium tritides

313

Ab initio study of HXeF dimer and trimer

314

Ab initio study of hydride abstraction reaction in the Mg+–NH2CH3 complex

315

Ab initio study of hydrogen adsorption on Zn2(NDC)2(diPyTz) metal-organic framework decorated with alkali and alkaline earth metal cations

316

Ab initio study of hydrogen related defect in ZrO2: Consequences on dry and aqueous oxidation

317

Ab initio study of hyperconjugation effects on charge distribution in representative polycyclic alcohols

318

Ab initio study of incommensurately modulated crystals

319

Ab initio study of influence of 3d alloying elements on corrosion properties of non-passivated nickel-base alloys

320

Ab initio study of interaction between the OH hydroxyl and Ptn (n = 1–10) clusters

321

Ab initio study of interstitial migration in Fe–Cr alloys

322

Ab initio study of intramolecular proton transfer reactions in cytosine

323

Ab initio study of InxGa1−xN – Performance of the alchemical mixing approximation

324

Ab initio study of ion–ammonia complexes: geometry and many-body interactions

325

Ab initio study of ionic solutions by a polarizable continuum dielectric model

326

Ab initio study of iron nanowires encapsulated inside silicon nitride nanotubes

327

Ab initio study of isomers of neutral and ionized van der Waals dimer (CH3I)2

328

Ab initio study of Kubas-type dihydrogen fixation onto d-orbital states of Ca adatoms

329

Ab initio study of ladder-type polymers: Polythiophene and polypyrrole

330

Ab initio study of Lewis acid catalyzed nitrone cycloaddition to electron deficient alkenes. Does a Lewis acid catalyst change the reaction mechanism?

331

Ab initio study of low-temperature phase transformations in ternary solid solution TiCcN1−c

332

Ab initio study of luminescent chalcogenido silver(I) clusters [Ag4(μ-H2PCH2PH2) 4(μ4-E)]2+

333

Ab initio study of M(CH3CN)n clusters (M=Li+, Na+, Mg2+) in the gas phase Original Research Article

334

Ab initio study of magnetic properties of bimetallic Con−1Mn and Con−1V clusters

335

Ab initio study of many-body decomposition of the interaction energy in small beryllium clusters

336

Ab initio study of mechanism of forming a spiro-Ge-heterocyclic ring compound from H2GeGe: and formaldehyde

337

Ab initio study of mechanism of forming a spiro-Si-heterocyclic ring compound from Me2SiSi: and formaldehyde

338

Ab initio study of mechanism of forming germanic bis-heterocyclic compound between germylene carbene (H2Gedouble bond; length as m-dashC:) and acetone

339

Ab initio study of Mg adatom and MgO molecule adsorption and diffusion on the MgO (0 0 1) surface

340

Ab initio study of MgH2 formation

341

Ab initio study of MgO stoichiometric clusters on the MgO(0 0 1) flat surface

342

AB Initio Study of Molecular Struture, Energetic and Vibrational Spectra of (GaN)4 Nanosemiconductor

343

Ab initio study of molecular surface electrostatic potential of hydrogen fluoride clusters (HF)n, (n=2–15)

344

Ab initio study of native point defects in ZnO under pressure

345

Ab initio study of Nb2SC and Nb2S2C: Differences in coupling between the S and Nb–C layers

346

Ab initio study of NMR shielding constants and spin-rotation constants in N, P and As diatomic molecules

347

Ab initio study of NMR spectra of Li2S–SiS2 glass system

348

Ab initio study of NO2. VII. Ã 2B2←X̃ 2A1 nonadiabatic Franck–Condon absorption spectrum Original Research Article

349

Ab initio study of nonadiabatic coupling matrix elements between excited 22A′ and 32A′ electronic states of C2H

350

Ab initio study of nonlinear optical properties of aromatic fused rings

351

Ab initio study of NOx compounds adsorption on SnO2 surface

352

Ab initio study of NOx compounds adsorption on SnO2 surface

353

Ab initio study of nucleation on the diamond (1 0 0) surface during chemical vapor deposition with methyl and H radicals

354

Ab initio study of one-photon and two-photon absorption properties of 2,5-bis[4-(2-arylvinyl)phenyl]-1,3,4-oxadiazoles

355

Ab initio study of optimal control of ammonia molecular vibrational wavepackets: Towards molecular quantum computing

356

Ab initio study of oxygen point defects on tungsten trioxide surface

357

Ab initio study of pentacene on Au(0 0 1) surface

358

Ab initio study of pentacene on the Fe(1 0 0) surface

359

Ab initio study of periodic ice surfaces containing HCl

360

Ab initio study of phase competition in (La1 − c,Src)CoO3 solid solutions

361

Ab initio study of phase transformations in transition-metal disilicides

362

Ab initio study of phase transition and bulk modulus of NaH

363

Ab initio study of phonons and structural stabilities of the perovskite-type MgSiO3

364

Ab initio study of phonons in the rutile structure of SnO2 under pressure

365

Ab initio study of phonons in the rutile structure of TiO2 Original Research Article

366

Ab initio study of planar faults in bcc Fe and Mo Original Research Article

367

Ab initio study of pressure-induced phase transitions in the ordered Si50Ge50 alloy

368

Ab initio study of pristine and Si-doped capped carbon nanotubes interacting with nimesulide molecules

369

Ab initio study of protonated nitrosamide: a possible intermediate in the deNO x process

370

Ab initio study of reaction mechanism of C2+H2S

371

Ab initio study of reaction of dimethyl sulfoxide (DMSO) with OH radical

372

Ab initio study of rearrangements between C60 fullerenes

373

Ab initio study of rumpled relaxation and core-level shift of barium titanate surface

374

Ab initio study of S dynamics on iron surfaces

375

Ab initio study of self-interstitials in hcp-Zr

376

Ab initio study of shear strain effects on ferroelectricity at PbTiO3 thin films

377

Ab initio study of shear strain effects on ferroelectricity at PbTiO3 thin films

378

Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)

379

Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals

380

Ab initio study of small gallium phosphate clusters

381

Ab initio study of small gallium phosphate clusters (Chem. Phys. Letters 236 (1995) 609)

382

Ab initio study of small sulphuric acid - water clusters

383

Ab initio study of sodium intercalation into metal oxides

384

Ab initio study of solution energy and diffusion of caesium in uranium dioxide

385

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

386

Ab initio study of Solvent Effect on Zigzag (3, 0) Carbon Nanotube

387

Ab initio study of solvent effects on reactant–modifier complexes in enantioselective hydrogenation

388

Ab initio study of solvent kinetic isotope effects in microhydrated SN2 reactions

389

Ab initio study of some fundamental physical properties of the cubic inverse-perovskite Mn3ZnC and Mn3GeC

390

Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide Original Research Article

391

Ab initio study of structural and electronic properties of III-arsenide binary compounds

392

Ab initio study of structural and electronic properties of LiBe compound

393

Ab initio study of structural and electronic properties of ternary alkali-metal-based semimetal compounds

394

Ab initio study of structural and magnetic properties of cubic Fe4N(0 0 1) surface

395

Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters Original Research Article

396

Ab initio study of structural, bonding, and vibrational properties of AGaO2 (A = Ag, Cu) delafossites

397

Ab initio study of structural, elastic and vibrational properties of praseodymium chalcogenides

398

Ab initio study of structural, electronic and dielectric properties of free standing ultrathin nanowires of noble metals

399

Ab initio study of structural, electronic and optical properties of ordered group-IV binary alloy Ge0.5Sn0.5

400

Ab initio study of structural, electronic and optical properties of the Bi12TiO20 sillenite crystal

401

Ab initio study of structural, electronic and thermodynamic properties of tungstate double perovskites Ba2MWO6 (M = Mg, Ni, Zn)

402

Ab initio study of structural, electronic, elastic and high pressure properties of barium chalcogenides

403

Ab initio study of structures of hydrogen-bonded nitric acid complexes Original Research Article

404

Ab initio study of sulfur isotope fractionation in the reaction of OCS with OH

405

Ab initio study of surface structural changes during methanol synthesis over Zn/Cu(111)

406

Ab initio study of surface-mediated proton transfer in polymer electrolyte membranes

407

Ab initio study of the (SO2)(SO2− dimer: structures involving a two-electron SO bond

408

Ab initio study of the addition of atomic carbon with water Original Research Article

409

Ab initio study of the adsorption and desorption of Se on the Si(0 0 1) surface

410

Ab initio study of the adsorption of In on the Ge(0 0 1) surface

411

Ab initio study of the adsorption of In on the Si(0 0 1)-(2×2) surface

412

Ab initio study of the alkaline hydrolysis of a thio-β-lactam structure

413

Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile Original Research Article

414

Ab initio study of the ammoniated ammonium ions NH4+(NH3)0–6 Original Research Article

415

Ab initio study of the anomalous volume-composition dependence in Fe–Al alloys

416

Ab initio study of the aromaticity of hydrogenated [70] and [76]-fullerenes

417

Ab initio study of the binding strength of POSS-cation complexes

418

Ab initio study of the catalytic effect of H2O on the self-reaction of HO2

419

Ab initio study of the chemical states of water on Cr2O3(0 0 0 1): From the isolated molecule to saturation coverage

420

Ab initio study of the complexation of benzene with ammonium cations

421

Ab initio study of the composition dependence of the pressure-induced spin crossover in perovskite (Mg1 − x,Fex)SiO3

422

Ab initio study of the core-excited OCS molecule: assignment of the L-shell excitation spectrum

423

Ab initio study of the cyclic isomers of N2S4 Original Research Article

424

Ab initio study of the cyclodimerization of uracil through butane-like and oxetane-like conical intersections

425

Ab initio study of the decomposition of formaldehyde

426

Ab initio study of the dissociation of formyl cyanide

427

Ab initio study of the double row model of the Si(5 5 3)–Au reconstruction

428

Ab initio study of the effect of hydrogen and point defects on arsenic segregation at Si (1 0 0)/SiO2 interfaces

429

Ab initio study of the effect of Zr content on elastic and electronic properties of L12–Al3(Sc1−xZrx) alloys

430

Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene

431

Ab initio study of the electronic and atomic structure of the wolframite-type ZnWO4

432

Ab initio study of the electronic spectrum of C2H2+.: I. Vertical spectrum and angular potential curves Original Research Article

433

Ab initio study of the electronic spectrum of C2H2+.: II. Stretching potential energy surfaces for low-lying doublet electronic states Original Research Article

434

Ab initio study of the electronic spectrum of Na2F Original Research Article

435

Ab initio study of the electronic spectrum of the heptacyanovanadate(III) complex

436

Ab initio study of the electronic spectrum of the PO2 radical

437

Ab initio study of the electronic states of BS including spin–orbit coupling

438

Ab initio study of the electronic structure of nickel phthalocyanine—monolayer and bulk

439

Ab initio study of the electronic structure of Sr2FeMoO6 double perovskites presenting oxygen vacancies or/and antisite imperfections

440

Ab initio study of the electronic structure of Sr2FeMoO6 double perovskites presenting oxygen vacancies or/and antisite imperfections

441

Ab initio study of the electronic structure of Sr2FeMoO6/SrTiO3 multilayers with Fe deficient interfaces

442

Ab initio study of the electronic structures and conduction properties of some novel low band-gap donor–acceptor polymers

443

Ab initio study of the elusive HO3(X2A″) radical and the reaction

444

Ab initio study of the energetics and thermodynamics of hydrogen abstraction from fluoromethanes by O(3P). II: CFnH4−n+O(3P)→CFnH4−n…O→CFnH3−n+OH (n=0,1,2)

445

Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting

446

Ab initio study of the enthalpy barriers of the high-pressure phase transition from the cubic-diamond to the β-tin structure of silicon and germanium

447

Ab initio study of the equilibrium conformation of the ArCO+ ion Original Research Article

448

Ab initio study of the F2(X 1Σg+)–H(2S) van der Waals complex Original Research Article

449

Ab initio study of the fcc-WC(1 0 0) surface and its interaction with cobalt monolayers

450

Ab initio study of the first excited state and of the transition of CNO

451

Ab initio study of the fundamental properties of novel III–V nitride alloys Ga1−xTlxN

452

Ab initio study of the ground and excited states of the zinc sulfide diatomic system, ZnS

453

Ab initio study of the ground and lower-lying excited electronic states of NiX2 and FeX2 (XZF, Cl, Br, I) molecules

454

Ab initio study of the ground and several excited states of the NLi system

455

Ab initio study of the ground state and the first excited state of the rectangular (D2h) N4 molecule

456

Ab initio study of the ground-state potential of XH− anions (X=He,Ne,Ar) Original Research Article

457

Ab initio study of the H + ClONO2 reaction

458

Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites

459

Ab initio study of the HCOOHAr van der Waals complex

460

Ab initio study of the high-pressure behavior of CaSiO3 perovskite

461

Ab initio study of the high-pressure phase transition from the cubic-diamond to the β-tin structure of Si

462

Ab initio study of the hydrogen chemisorption of single-walled aluminum nitride nanotubes

463

Ab initio study of the hydrolysis of carbonyl difluoride (CF2O): importance of an additional water molecule

464

Ab initio study of the hypermagnesium Mg2O+ and Mg3O+ cations

465

Ab initio study of the influence of conformation on partial charge distribution of dioctadecylamine

466

Ab initio study of the interaction of H with substitutional solute atoms in α-Fe: Trends across the transition-metal series

467

Ab initio study of the intermolecular potential surface of He–NH3

468

Ab initio study of the Li(2S)–H2(X 1Σg+) van der Waals complex Original Research Article

469

Ab initio study of the LiH+ molecule, electronic interaction analysis and LiH UV photoelectron spectrum Original Research Article

470

Ab initio study of the linear and nonlinear optical properties of chalcopyrite CdGeAs2

471

Ab initio study of the lowest 3Σ−, 3Π and 1Σ+ states of the SiN+ cation

472

Ab initio study of the lowest-lying electronic states of the LiAs molecule

473

Ab initio study of the mechanism of the formation of p-rosolic acid from trifluoromethoxybenzene under HF/Lewis acid conditions

474

Ab initio study of the mechanisms of reactions of NF3 with aliphatic and benzylic substrates

475

Ab initio study of the minimum-energy structure of trans-azobenzene

476

Ab initio study of the modification of elastic properties of α-iron by hydrostatic strain and by hydrogen interstitials Original Research Article

477

Ab initio study of the molecular structure and vibrational spectra of dichlorine hexoxide and its significance to stratospheric ozone depletion Original Research Article

478

Ab initio study of the NO2 and SO2 adsorption on Al12N12 nano-cage sensitized with gallium and magnesium

479

Ab initio study of the one-monolayer Sb/Ge(0 0 1) interface

480

Ab initio study of the one-monolayer Sb/Si(0 0 1) interface

481

Ab initio study of the optical transitions on low-coordinated sites of an intermediate F center: The Fs+(OH)− center on MgO(100) surface

482

Ab initio study of the origin of the dead magnetic Ni layers at the Ni/Pt(1 1 1) interface

483

Ab initio study of the potential energy surfaces for the valence and Rydberg doublet electronic states of HNF Original Research Article

484

Ab initio study of the pressure effects on image Original Research Article

485

Ab initio study of the reaction mechanism of singlet and triplet N2O and their intersystem crossing Original Research Article

486

Ab initio study of the reorganization barrier for bent triatomic species

487

Ab initio study of the selective alkylation of m-cresol with tert-butanol catalyzed by SO3H-functionalized ionic liquids

488

Ab initio study of the self-organised Bi-lines on the Si(0 0 1) surface

489

Ab initio study of the shielding and spin–spin coupling constants in ClF3, PF3 and PF5

490

Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (0 0 1) surfaces

491

Ab initio study of the stable phases of 1:1 tantalum nitride Original Research Article

492

Ab initio study of the structural stability of fcc-CHx phases Original Research Article

493

Ab initio study of the structural, elastic, electronic and optical properties of the antiperovskite SbNMg3

494

Ab initio study of the structural, electronic and elastic properties of anti-fluorite Li2X (X = S and Te) compounds under pressure effect

495

Ab initio study of the structural, electronic and optical properties of the fluoropervskite SrXF3 (X = Li, Na, K and Rb) compounds

496

Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)

497

Ab initio study of the structural, phonon, elastic and thermodynamic properties of the ordered Ge0.5Sn0.5 cubic alloy under high pressure

498

Ab initio study of the structure, vibrational spectra and binding energy of HClClO and Cl2ClO complexes Original Research Article

499

Ab initio study of the surface properties of austenitic stainless steel alloys

500

Ab initio study of the tensile behavior of single polyimide molecular chain

501

Ab initio study of the toluene dimer

502

Ab initio study of the torsional potential for 9-phenylanthracene in the ground and excited states

503

Ab initio study of the transport properties of a light-driven switching molecule azobenzene substituent

504

Ab initio study of the vibrational properties of single-walled silicon nanotubes

505

Ab initio study of the water adsorption on hydroxylated graphite surfaces

506

Ab initio study of the X 2Σ+ and A 2Π states of the SiO+ cation including the effect of core correlation Original Research Article

507

Ab initio study of the X2Σ+ and A 2Π states of the SiN radical

508

Ab initio study of the π–π interaction in the pyridine dimer: Effects of bond functions

509

Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite

510

Ab initio study of Ti3Si0.5Ge0.5C2 under pressure Original Research Article

511

Ab initio study of Ti–C precipitates in hcp titanium: Formation energies, elastic moduli and theoretical diffraction patterns

512

Ab initio study of ultra-incompressible ternary BeCN2 polymorph Original Research Article

513

Ab initio study of unimolecular pyrolysis mechanisms of dithioformic acid Original Research Article

514

Ab initio study of V doping effects on electronic structure and magnetic properties in Co2Fe1−xV xAl

515

Ab initio study of vacancies in cubic BN under pressure

516

Ab initio study of valence correlation satellites in photoelectron spectra of neon

517

Ab initio study of vibronic coupling in the ozone radical cation

518

Ab Initio Study of Vinblastine-Tubulin Anticancer Complex

519

Ab initio study of water adsorption on TiO2(110): molecular adsorption versus dissociative chemisorption

520

Ab initio study of water adsorption on TiO2-terminated (100) surface of SrTiO3 with and without Cr doping

521

Ab initio study of water hexamer anions

522

Ab initio study of water: self-consistent determination of electronic structure and liquid state properties

523

Ab initio study of Yb on the Ge(111)–(3 × 2) and Si(111)–(3 × 2) surfaces

524

Ab initio study of ZnSe and CdTe semiconductor quantum dots

525

Ab initio study on electronically excited states of lithium isocyanide, LiNC

526

Ab initio study on fracture toughness of Ti0.75X0.25C ceramics

527

Ab initio study on interaction between carbon atom and Si(1 0 0) surface in strong electric fields

528

Ab initio study on interaction between carbon atom and Si(1 0 0) surface in strong electric fields

529

Ab initio study on isotope exchange reactions of H2 with surface hydroxyl groups in lithium silicates

530

Ab initio study on magnetism at GaN (100) and (101) surfaces

531

Ab initio study on magnetism at TiO2/SrTiO3 interface

532

Ab initio study on mixed methanol–hydrogen chloride dimer and trimers

533

Ab initio study on Mo2C8 cluster

534

Ab initio study on N,N-dimethylaminoethanol: Conformers and energies

535

Ab Initio study on nano carrier (RS)-2-(1,2,3,4- tetrahydronaphthalen -1-yl)-4,5-dihydro-1H-imidazol drug about Substituted effect in energy levels, dipole moment and structural parameters

536

Ab initio study on plane defects in zirconium–hydrogen solid solution and zirconium hydride Original Research Article

537

Ab initio study on potential energy curves of electronic ground and excited states of 40CaH+ molecule

538

Ab initio study on structure and phase transition of A- and B-type rare-earth sesquioxides Ln2O3 (Ln=La–Lu, Y, and Sc) based on density function theory

539

Ab initio study on the (O2–HCl)+ complex

540

Ab initio study on the carbon nanotube with various degrees of functionalization

541

Ab initio study on the dissociation pathways of XSO2 (XCl, F) radicals

542

Ab initio study on the effects of dopant–defect cluster on the electronic properties of TiO2-based photocatalysts

543

Ab initio study on the effects of MoO3 molecule on graphene clusters

544

Ab initio study on the electronic and mechanical properties of ReB and ReC

545

Ab initio study on the electronic structure of the

546

Ab initio study on the electronic structures of stilbene at the conical intersection

547

Ab initio study on the electronic structures of styrene at the conical intersection

548

Ab initio study on the ground and low-lying excited states of GaH

549

Ab initio study on the ground states, phase stability, and mechanical properties of the Au–Pt system

550

Ab initio study on the intermolecular interactions between 1,1-diamino-2,2-dinitroethylene and acetylene: Pull effect on complex formation

551

Ab initio study on the kinetics and mechanisms for O3 reactions with HO2 and HNO

552

Ab initio study on the kinetics and mechanisms of the formation of Agn (n = 2–6) clusters

553

Ab initio study on the lattice instability of silicon and aluminum under [0 0 1] tension

554

Ab initio study on the low-lying potential energy curves of the diatomic cesium iodide cation (CsI+)

555

Ab initio study on the mechanism of hydrogen release from the silicate surface in the presence of water molecule

556

Ab initio study on the mechanism of the HCO+O2→HO2+CO reaction

557

Ab initio study on the mechanism of the radical reaction NNH(2A′)+N(4S)→N2+NH(3Σ−)

558

Ab initio study on the photochemical behavior of 4-dimethylamino,4′-cyanostilbene Original Research Article

559

Ab initio study on the photochemical isomerization of thiazole derivatives

560

Ab initio study on the photoisomers of a nitro-substituted spiropyran

561

Ab initio study on the physical properties of CoN3 and RhN3 with skutterudite structure

562

Ab initio study on the potential energy hypersurface of FC(O)O+

563

Ab initio study on the potential energy surface and geometric isomers of the HBr–N2O (1:1) cluster

564

Ab initio study on the potential energy surfaces of NCO2+

565

Ab initio study on the reaction 2NH(X 3Σ−) → NH2(X 2B1) + N(4S)

566

Ab initio study on the resonance effect in the hydrogen- and halogen-bonded complexes of hypohalous acids with formamide and its derivatives

567

Ab initio study on the structural and elastic properties of MAlSi (M=Ca, Sr, and Ba)

568

Ab initio study on the structures of Th(IV) hydrate and its hydrolysis products in aqueous solution

569

Ab initio study on the thermochemistry of diphosphine (P2H4) and diphosphine radical cation (P2H+4)

570

Ab initio study on the thermochemistry of vinyl radical and cation

571

Ab initio study on the topological Li insertion in titanium oxide

572

Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems

573

Ab initio study on thermal decomposition of γ-butyrolactone

574

Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules

575

Ab initio study the effects of Si and Mg dopants on point defects and Y diffusion in YAG

576

Ab initio surface hopping simulation on dissociative recombination of H3O+

577

Ab initio surface reaction energetics of H2X (X = O or S) on Si(0 0 1)-(2 × 1)

578

Ab initio systematic determination of the t–J effective Hamiltonian parameters for superconducting Cu-oxides

579

Ab initio systematic study of chirality effects on phonon spectra, mechanical and thermal properties of narrow single walled carbon nanotubes

580

Ab initio temperature dependent studies of the homoepitaxial growth on Si(0 0 1) surface

581

Ab initio ternary -phase diagram: The Cr–Mo–Re system

582

Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding: evidence of a dramatic effect of the matrix on the structure and vibrational spectrum of HBr:3,5-dichloropyridine

583

Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding: vibrational consequences of proton position in 1:1 complexes of HCl and 4-X-pyridines

584

Ab initio theoretical and photoemission studies on formation of 4H-SiC(0 0 0 1)/SiO2 interface

585

Ab initio theoretical calculation and potential energy surface for ground-state HO3

586

Ab initio theoretical optical rotations of small molecules Original Research Article

587

Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2)

588

Ab initio theoretical study of 4f→5d transitions in Eu2+-doped CaF2

589

Ab initio theoretical study of dipole-bound anions of molecular complexes. [H2O⋯HCN]− and [HCN⋯H2O]− anions

590

Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

591

Ab initio theoretical study of dipole-bound anions of molecular complexes: formaldehyde dimer anion

592

Ab initio theoretical study of the electronic absorption spectra of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene and phenanthrene

593

Ab initio theoretical study of the image and 4f75d manifolds of Tb3+-doped BaF2 cubic sites

594

Ab initio theoretical tensile test on Y-doped (sigma) = 3 grain boundary in (alpha)-Al2O3

595

Ab initio theoretical tensile test on Y-doped Σ = 3 grain boundary in α-Al2O3 Original Research Article

596

Ab initio theories of electric transport in solid systems with reduced dimensions

597

Ab initio theories of electric transport in solid systems with reduced dimensions

598

Ab initio theory and calculations of X-ray spectra

599

Ab initio theory of complex electronic ground state of superconductors: I. Nonadiabatic modification of the Born–Oppenheimer approximation Original Research Article

600

Ab initio theory of complex electronic ground state of superconductors: II.: Antiadiabatic state—Ground state of superconductors Original Research Article

601

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

602

Ab initio thermodynamic properties of stoichiometric phases in the Ni-Al system

603

Ab initio thermodynamic properties of stoichiometric phases in the Ni–Al system Original Research Article

604

Ab initio thermodynamic study of the reaction of CF2Cl2 and CHF2Cl CFCs species with OH radical

605

Ab initio thermodynamics for the growth of ultra-thin Cu film on a perfect MgO(001) surface

606

Ab initio thermodynamics of zirconium hydrides and deuterides

607

Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process

608

Ab initio tight-binding study of exciton optical and electro-optic properties of conjugated polymers

609

Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces

610

Ab initio total atomization energies of small molecules — towards the basis set limit

611

Ab initio treatment of charge transfer in CS+ molecular system

612

Ab initio treatment of the Renner-Teller effect in tetra-atomic molecules undergoing large amplitude bending vibrations Original Research Article

613

Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities: I. Polarizability and quadratic hyperpolarizability of water, carbon monoxide and hydrogen fluoride Original Research Article

614

Ab initio vibrational and dielectric properties of

615

Ab initio vibrational and thermal properties of AlN nanowires under axial stress

616

Ab initio vibrational spectrum of

617

Ab initio X-ray powder diffraction characterisation of molecule-based magnetic materials Original Research Article

618

Ab initio, crystal field and experimental spectroscopic studies of pure and Ni2+-doped KZnF3 crystals

619

Ab initio, DFT, and spectroscopic studies of excited-state structure and dynamics of 9-ethylfluorene

620

Ab initio, DFT, HOMO–LUMO and Natural Bond Orbital analyses of the electronic structure of 2-mercapto-1-methylimidazole

621

Ab initio, VTST and QCT study of the 32A′ potential energy surface implied in the N(2D)+O2(X3Σg−)→O(3P)+NO(X2Π) reaction

622

Ab initio/Rice–Ramsperger–Kassel–Marcus approach to carbon nitride formation: CH3NH2 decomposition

623

Ab initio-based approach to structural modulation on 4H-SiC(1 1 2¯ 0) during MBE growth

624

Ab initio-based approach to the reconstruction on InAs(111)A wetting layer grown on GaAs substrate

625

Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys

626

Ab initio-based potential energy surfaces and predicted microwave spectra of the Ar–I2(X1Σg+) Van der Waals complex

627

Ab initio-based prediction and TEM study of silicide precipitation in titanium

628

ab initioDFT calculations 13C, 1H NMR chemical shifts and bond length in synthesized spirooxindol

629

AB INITIOMOLECULAR DYNAMICS WITH DENSITY FUNCTIONAL THEORY

630

AB0 system and D(Rho) antigen frequencies in left ventricular hypertrabeculation/noncompaction in relation to cardiac and neuromuscular findings

631

AB1600—ProgressofABWRtechnologytowardnextgenerationABWROriginalResearchArticle

632

AB2+ AC2 approach to hyperbranched polymers with a high degree of branching

633

AB3 building blocks for the synthesis of polyester dendrimers

634

AB-5* and Linear Compactness

635

AB-5* and Linear Compactness Original Research Article

636

AB-5* and Linear Compactness Original Research Article

637

AB5/ABS composite material for hydrogen storage

638

ABA and gibberellin-like substances during prehardening, cold acclimation, de- and reacclimation of oilseed rape

639

ABA and NaCl activate myelin basic protein kinase in the chloronema cells of the moss Funaria hygrometrica

640

ABA and proline accumulation in leaves and roots of wild ( Hordeum spontaneum ) and cultivated ( Hordeum vulgare ‘Maresi’) barley genotypes under water deficit conditions

641

ABA and sugar interactions regulating development: cross-talk or voices in a crowd?

642

ABA associated biochemical changes during somatic embryo development in Camellia sinensis (L.) O. Kuntze

643

ABA content in shoots and roots of pea mutants af and tl as related to their growth and morphogenesis

644

ABA contents and the regeneration ability of Fritillaria imperialis L. cultured in vitro

645

ABA may promote or delay peach fruit ripening through modulation of ripening- and hormone-related gene expression depending on the developmental stage

646

ABA perception and signalling

647

ABA perception and signalling

648

ABA prevents the second cytokinin-mediated event during the induction of shoot buds in the moss Funaria hygrometrica

649

ABA says NO to UV-B: a universal response?

650

ABA says NO to UV-B: a universal response?

651

ABA signal transduction

652

ABA transport and transporters

653

ABA transport and transporters

654

ABA Treatment and Desiccation of Microspore-derived Embryos of Cabbage (Brassica oleracea ssp. capitata L.) Improves Plant Development

655

ABA treatment increases both the desiccation tolerance of photosynthesis, and nonphotochemical quenching in the moss Atrichum undulatum

656

ABA triblock copolymer-based model networks in the bulk: Effect of the number of arms on microphase behavior

657

ABA triblock copolymers containing polyhedral oligomeric silsesquioxane pendant groups: synthesis and unique properties

658

Abaca (Musa textilis Nee) allometry for above-ground biomass and fiber production

659

Abacavir and increased risk of myocardial infarction

660

Abacavir and increased risk of myocardial infarction

661

Abacavir and increased risk of myocardial infarction

662

Abacavir and increased risk of myocardial infarction – Authorsʹ reply

663

Abacavir and the potential risk of myocardial infarction

664

Abacavir prodrugs: Microwave-assisted synthesis and their evaluation of anti-HIV activities

665

ABA-deficiency results in reduced plant and fruit size in tomato

666

Abadieʹs Constraint Qualification, Hoffmanʹs Error Bounds, and Hausdorff Strong Unicity Original Research Article

667

Abamectin attenuates gastric mucosal damage induced by ethanol through activation of vagus nerve in rats

668

Abamectin compatibility with the leafminer parasitoid Diglyphus isaea

669

ABA-mediated proline synthesis in cowpea leaves exposed to water deficiency and rehydration

670

A-band resonance Raman spectra and short-time photodissociation dynamics of trans 1-chloro-2-iodoethane in cyclohexane solution

671

A-band resonance Raman spectra of 1,2-diiodoethane in cyclohexane solution.: Substituent effects on the 1-halo-2-iodoethane short-time photodissociation dynamics

672

Abandoned Children: Edited by Catherine Panter-Brick and Malcolm T. Smith; Cambridge University Press, London, 2000

673

Abandoned farmlands as components of rural landscapes: An analysis of perceptions and representations

674

Abandoned Mid-Canada Radar Line sites in the Western James region of Northern Ontario, Canada: A source of organochlorines for First Nations people?

675

Abandoned mines drainage: impact assessment and mitigation of discharges from coal mines in the UK

676

Abandoned pastoral settlements provide concentrations of resources for savanna birds

677

Abandoned spaces and bare life in the enclaves of the India–Bangladesh border

678

Abandoned stone quarries in and around the Izmir city centre and their geo-environmental impacts—Turkey

679

Abandoned to their fate: Social policy and practice towards severely retarded people in America, 1820–1920 : By Philip M. Ferguson. Temple University Press, Philadelphia, PA, 1994. 212 pp., U.S. $34.95 (cloth)

680

Abandoning ‘responsive’ GM risk assessment

681

Abandoning a label doesnʹt make it disappear: The perseverance of labeling effects

682

Abandoning empirical antibiotics for febrile children

683

Abandoning empirical antibiotics for febrile children

684

Abandoning small-scale fish farming in western Kenya leads to higher malaria vector abundance

685

Abandonment and intensified use of agricultural land decrease habitats of rare herbs in semi-natural grasslands

686

Abandonment chronology of glacial Lake Agassizʹs Northwestern outlet

687

Abandonment in grazing systems: Consequences for vegetation and soil

688

Abandonment of mandatory jail for impaired drivers in Norway and Sweden

689

Abandonment of Minoan palaces on Crete in relation to the earthquake induced changes in groundwater supply

690

Abandonment of soil and water conservation structures in Mediterranean ecosystems: A case study from south east Spain

691

Abandonment/Decommissioning under Nigerian Legal Regimes: a Comparative Analysis

692

Abaqus implementation of extended finite element method using a level set representation for three-dimensional fatigue crack growth and life predictions

693

A-bar dependencies in the Yoruba reference-tracking system

694

Abasic sites and survival in resected patients with non-small cell lung cancer

695

Abasic site-switched structure conversion of neutral red for selective DNA recognition

696

Abatacept in children with juvenile idiopathic arthritis: a randomised, double-blind, placebo-controlled withdrawal trial

697

Abatacept modulates human dendritic cell-stimulated T-cell proliferation and effector function independent of IDO induction

698

Abatacept-Induced Psoriasis in a Rheumatoid Arthritis Patient

699

Abate and Switch: miR-145 in Stem Cell Differentiation

700

Abate distribution and dengue control in rural Cambodia

701

Abatement and degradation pathways of toluene in indoor air by positive corona discharge Original Research Article

702

Abatement cost analysis in CO2 emission reduction costs regarding the supply-side policies for the Taiwan power sector

703

Abatement cost curves: a viable management tool for enabling the achievement of win–win waste reduction strategies?

704

Abatement costs in response to the Swedish charge on nitrogen oxide emissions

705

Abatement costs of CO2 emissions in the Brazilian oil refining sector

706

Abatement costs of post-Kyoto climate regimes

707

Abatement costs of SO2-control options in the Mexican electric-power sector

708

Abatement costs of SO2-control options in the Mexican electric-power sector

709

Abatement of 3-methylbutanal and trimethylamine with combined plasma and photocatalysis in a continuous planar reactor

710

Abatement of Benzyl Alcohol and Methyl Ethyl Ketone (MEK)

711

Abatement of CO from relatively simple and complex mixtures: I. Oxidation on Pd-Ag/zeolite catalysts

712

Abatement of CO from relatively simple and complex mixtures: II. Oxidation on Pd-Cu/C catalysts

713

Abatement of concentration polarization in ultrafiltration using n-hexadecane/water two-phase flow

714

Abatement of diesel exhaust pollutants: NOx adsorption on Co,Ba,K/CeO2 catalysts

715

Abatement of diesel-exhaust pollutants: NOx storage and soot combustion on K/La2O3 catalysts

716

Abatement of ibuprofen by solar photocatalysis process: Enhancement and scale up

717

Abatement of indoor air pollution achieved with coal–biomass household briquettes

718

Abatement of mercury emissions in the coal combustion process equipped with a Fabric Filter Baghouse

719

Abatement of mercury pollution in the small-scale gold mining industry: Restructuring the policy and research agendas

720

Abatement of methidathion and carbaryl from aqueous solutions using organic photocatalysts

721

Abatement of nitrous oxide over natural and iron modified natural zeolites Original Research Article

722

Abatement of NO3–N concentration in agricultural waters by narrow buffer strips

723

Abatement of perfluorocarbons with combined plasma catalysis in atmospheric-pressure environment

724

Abatement of Perfluorocompounds by Tandem Packed-Bed Plasmas for Semiconductor Manufacturing Processes

725

Abatement of PFCs from Semiconductor Manufacturing Processes by Nonthermal Plasma Technologies: A Critical Review

726

Abatement of segregation with the electro and static magnetic field during twin-roll casting of 7075 alloy sheet

727

Abatement of shocks during disruption of porous thick-liquid blankets in HYLIFE-type inertial fusion chambers

728

Abatement of volatile organic compounds using an annular photocatalytic reactor: Study of gaseous acetone

729

Abating endosulfan from runoff using vegetative filter strips: the importance of plant species and flow rate

730

A-B-A-Triblock and multiblock copolyesters prepared from ε-caprolactone, glycolide and l-lactide by means of bismuth subsalicylate

731

ABA-triblock copolymer ion gels for CO2 separation applications

732

ABA-triblock copolymers from biodegradable polyester A-blocks and hydrophilic poly(ethylene oxide) B-blocks as a candidate for in situ forming hydrogel delivery systems for proteins

733

Abattoir evidence on association between uterine and ovarian abnormalities in Ethiopian highland ewes

734

Abattoir operations and waste management in Nigeria: A review of challenges and prospects

735

Abattoir study of the prevalence of renal lesions in slaughtered cattle

736

Abattoir survey of bovine pyelonephritis.

737

Abattoir survey of gross abnormalities of the ovine genital tracts in Iran

738

Abattoir survey on caseous lymphadenitis in sheep and goats in Tanta, Egypt

739

Abattoirial survey on seasonal infection of sheep with tape worms in Shiraz area

740

ABA-ZAK: A world view exercise

741

742

ABBA: an architecture for deploying business-to-business electronic commerce applications

743

AB-BAND Mn DEPOSIT, NEYRIZ AREA, IRAN- AN EXAMPLE OF EXHALATIVE DISTAL Mn MINERALIZATION

744

Abbas, S. F. (2013). Status of Medical Libraries in Meeting Information Needs of the B.Sc. Nursing Students. (M.Phil.), University of the Punjab, Lahore, Pakistan

745

ABBÂSÎLER DÖNEMİNDE MUÂVİYE TARAFTARLIĞI

746

Abbe numbers and refractive indices of tektites and volcanic glasses

747

Abberations in E-cadherin in lobular breast cancer

748

Abbot Purchart I (928-971) of St. Gallen—Born by postmortem cesarean section

749

Abbott’s Xanthophyll Lutein pigment for plain vanilla ice cream

750

Abbreviated cognitive test for delirium

751

ABBREVIATED CONTENTS/Barcode

752

Abbreviated duration of superheat-and-flush and disinfection of taps for Legionella disinfection: Lessons learned from failure

753

Abbreviated Educational Session Improves Cranial Computed Tomography Scan Interpretations by Emergency Physicians

754

Abbreviated Infusion of Eptifibatide After Successful Coronary Intervention: The BRIEF-PCI (Brief Infusion of Eptifibatide Following Percutaneous Coronary Intervention) Randomized Trial

755

Abbreviations, Full Spellings, and Searchers’ Preferences

756

ABC and organizational change: an institutional perspective

757

ABC and VED Analysis of Imam Reza Educational Hospital Pharmacy

758

ABC and VED Analysis of Imam Reza Educational Hospital Pharmacy

759

ABC block copolymer as “smart” pH-responsive carrier for intracellular delivery of hydrophobic drugs

760

ABC effect: A signal of a quasibound system

761

ABC effect: A signal of a quasibound system

762

ABC implies the radicalized Vojta height inequality for curves Original Research Article

763

ABC inventory classification with multiple-criteria using weighted linear optimization

764

ABC of Alcohol, Fourth Edition, Alex Paton and Robin Touquet, Blackwell Publishing, 72 pages, $34.95, ISBN 0-7279-1814-1.

765

ABC of Blood Transfusion in Patients with Thalassemia Major

766

ABC of Breast Cancer Awareness

767

ABC of Content Validation and Content Validity Index Calculation

768

ABC of dermatoepidemiology

769

ABC of Manuscript Writing

770

ABC of Medical Ethics and Professionalism in the Breast Clinic

771

ABC of secondary prevention

772

ABC of the First Year

773

ABC synthesis and antitumor activity of a series of Annonaceous acetogenin analogs with a threo, trans, threo, trans, threo-bis-tetrahydrofuran core unit

774

ABC Transporter CslAB, a Stabilizer of ComCDE Signal in Streptococcus mutans

775

ABC transporter regulation by bile acids: where PXR meets FXR

776

ABC transporters in lipid transport

777

ABC Transporters in Microorganisms, Research, Innovation and Value as Targets against Resistance, Alicia Ponte-Sucre (Ed.), Caister Academic Press, UK, 2009, vii + 260 pages, 10 pages colour plates, hard back, UK £ 150, $ 310; ISBN 978-1-904455-

778

ABC: a quantum reactive scattering program Original Research Article

779

ABC: A simple geographic forwarding scheme capable of bypassing routing holes in sensor networks

780

ABC1K atypical kinases in plants: filling the organellar kinase void

781

ABC1K atypical kinases in plants: filling the organellar kinase void

782

ABC2 an Agenda Based Multi-Agent Model for Robots Control and Cooperation

783

ABCA1 expression in humans is associated with physical activity and alcohol consumption

784

ABCA1 modulates CSF cholesterol levels and influences the age at onset of Alzheimer’s disease

785

ABCA1 polymorphisms and prognosis after myocardial infarction in young patients

786

ABCA1, LDL receptor and STARD3 cholesterol transporter mRNA expression are upregulated in placentae from preeclamptic pregnancies

787

ABCA1Alabama: a novel variant associated with HDL deficiency and premature coronary artery disease

788

ABCA2 transporter deficiency reduces incidence of TRAMP prostate tumor metastasis and cellular chemotactic migration

789

ABCA4 mutation cauing milocalization are found frequently in patient with evere retinal dytrophie

790

ABCB1 G2677 Allele Is Associated with High Dose Requirement of Cyclosporin A to Prevent Renal Allograft Rejection in North India

791

ABCB1 Polymorphisms in High-Dose and Low-Dose Dependent Patients Under Methadone Maintenance Treatment in an Iranian Population

792

ABCB1/MDR1 contributes to the anticancer drug-resistant phenotype of IPH-926 human lobular breast cancer cells

793

ABCB11 Gene Mutations in Children with Progressive Familial Intrahepatic Cholestasis (PFIC) and Low GGT

794

abcb1ab P-glycoprotein is involved in the uptake of citalopram and trimipramine into the brain of mice

795

ABCB2 (TAP1) as the downstream target of SHH signaling enhances pancreatic ductal adenocarcinoma drug resistance

796

ABCD matrix for reflection and refraction of Gaussian beams at the surface of a parabola of revolution

797

ABCD Matrix for Reflection and Refraction of Laser Beam at Tilted Concave and Convex Elliptic Paraboloid Interfaces and Studying Laser Beam Reflection from a Tilted Concave Parabola of Revolution

798

ABCD Matrix for Reflection and Refraction of Laser Beam at Tilted Concave and Convex Elliptic Paraboloid Interfaces and Studying Laser Beam Reflection from a Tilted Concave Parabola of Revolution

799

ABCD rule for Gaussian beam propagation in the context of quantum optics derived by the IWOP technique

800

Abcès du psoas chez une femme enceinte :une observation à Bamako

801

ABCG1 Attenuates Oxidative Stress Induced by H2O2through the Inhibition of NADPH Oxidase and the Upregulation of Nrf2-Mediated Antioxidant Defense in Endothelial Cells

802

ABCG2: A perspective

803

ABCG5 gene responses to treadmill running with or without administration of Pistachio atlantica in female rats

804

ABCG8 Gene Responses to 8 Weeks Treadmill Running With or Without Pistachia atlantica (Baneh) Extraction in Female Rats

805

Abciximab administration and outcome after intracoronary stent implantation

806

Abciximab and angiographic restenosis after coronary stent placement. Analysis of the angiographic substudy of ISAR-REACT—A double-blind, placebo-controlled, randomized trial evaluating abciximab in patients undergoing elective percutaneous coronary inter

807

Abciximab and bleeding during coronary surgery: results from the EPILOG and EPISTENT trials

808

Abciximab and early adjunctive percutaneous coronary intervention are associated with improved ST-segment resolution after thrombolysis: Observations from the TIMI 14 Trial

809

Abciximab and Excessive Bleeding in Patients Undergoing Emergency Cardiac Operations

810

Abciximab and fatal pulmonary hemorrhage

811

Abciximab During Percutaneous Coronary Intervention for ST-Segment Elevation Myocardial Infarction: Intracoronary, Intravenous, or Not at All?

812

Abciximab extends treatment window for stroke

813

Abciximab improves 6-month clinical outcome after rescue coronary angioplasty

814

Abciximab in elderly with Acute Coronary Syndrome invasively treated: Effect on outcome

815

Abciximab in primary coronary angioplasty for acute myocardial infarction improves short- and medium-term outcomes

816

Abciximab in the treatment of acute myocardial infarction eligible for primary percutaneous transluminal coronary angioplasty : Results of the glycoprotein receptor antagonist patency evaluation (GRAPE) pilot study

817

Abciximab inhibits release of platelet granule constituents

818

Abciximab Inhibits the Migration and Invasion Potential of Human Coronary Artery Smooth Muscle Cells

819

Abciximab not RGD peptide inhibits von Willebrand factor-dependent platelet activation under shear

820

Abciximab provides cost-effective survival advantage in high-volume interventional practice

821

Abciximab reduces mortality in diabetics following percutaneous coronary intervention

822

abciximab survival advantage following percutaneous coronary intervention is predicted by clinical risk profile

823

Abciximab therapy improves 1-month survival rate in unselected patients with acute myocardial infarction undergoing routine infarct artery stent implantation

824

Abciximab therapy improves survival in patients with acute myocardial infarction complicated by early cardiogenic shock undergoing coronary artery stent implantation

825

Abciximab therapy in percutaneous intervention: Economic issues in the United States, ,

826

Abciximab, ticlopidine, and concomitant abciximab-ticlopidine therapy: Ex vivo platelet aggregation inhibition profiles in patients undergoing percutaneous coronary interventions

827

Abciximab-associated profound thrombocytopenia: Therapy with immunoglobulin and platelet transfusion

828

Abciximab-associated pseudothrombocytopenia

829

ABC-MC: A new multi-channel geographic forwarding scheme for wireless sensor networks

830

ABCR expreion in foveal cone photoreceptor and it role in targardt macular dytrophy

831

ABCRATE: A program for the calculation of atom-diatom reaction rates Original Research Article

832

ABCs of secondary prevention of CHD: easier said than done

833

ABCs of thrombolysis

834

Abd al-Rahmān al-Bistāmī’s Classification of the Sciences

835

Abd El-Aziz Shadia E, Isailm IA.2000. The effectiveness of certain plant oils as protections of broad bean against the infestation by Bruchusincaratus. Schm. (Coleoptera- Bruchidae) during storage. (A

836

Abd Shamad al-Palimbani’s Concept of Islamic Education: Analysis on Kitab Hidayah al-Sālikin fi Suluk Māsālāk lil Muttāqin

837

Abdi et al Opium Addiction is Associated With Increased Damage to Cardiomyocytes: Protective Roles Played by Apelins

838

Ab–diesel: Liquid–liquid equilibrium and volumetric transport properties

839

Abdominal abscess caused by acute cholecystitis

840

Abdominal Actinomycosis

841

Abdominal Adiposity and Cardiometabolic Risk: Do We Have All the Answers?

842

Abdominal Adiposity and Clustering of Multiple Metabolic Syndrome in White, Black and Hispanic Americans

843

Abdominal adiposity in U.S. adults: prevalence and trends, 1960–2000

844

Abdominal adiposity predicts endothelial dysfunction in uncomplicated obesity: an analysis of traditional and novel risk factors

845

Abdominal and cervical lymphadenopathy and multiple abscesses due to mycobacterium tuberculosis; A case report

846

Abdominal and erector spinae muscle activity during gait: the use of cluster analysis to identify patterns of activity

847

Abdominal and Thoracic Aortic Aneurysm Modeling

848

Abdominal aneurysms in Behcet s disease

849

Abdominal aortic aneurysm

850

Abdominal aortic aneurysm

851

Abdominal aortic aneurysm

852

Abdominal aortic aneurysm in pregnant crack cocaine abuse patient

853

Abdominal aortic aneurysm presenting as an epigastric mass

854

Abdominal aortic aneurysm rupture masquerading as strangulated inguinal hernia

855

Abdominal aortic aneurysm screening during transthoracic echocardiography in asymptomatic patients in Guilan province

856

ABDOMINAL AORTIC ANEURYSM SURGERY - LOCAL EXPERIENCE

857

ABDOMINAL AORTIC ANEURYSMS: A NOVEL EX VIVO CELL CULTURE METHOD TO ANALYSE INFLAMMATORY AND ANGIOGENIC PATHWAYS

858

Abdominal aortic aneurysms: an autoimmune disease?

859

Abdominal aortic calcific deposits are associated with increased risk for congestive heart failure: The Framingham Heart Study

860

Abdominal aortic hemodynamic conditions in healthy subjects aged 50–70 at rest and during lower limb exercise: in vivo quantification using MRI

861

Abdominal aortic pseudoaneurysm caused by prolonged methicillin-resistant Staphylococcus aureus sepsis

862

Abdominal aortic screening programme

863

Abdominal aortic surgery in patients with human immunodeficiency virus infection

864

Abdominal apoplexy due to rupture of inferior pancreaticoduodenal artery: A rare case of acute abdomen

865

Abdominal apparent diffusion coefficient measurements: effect of diffusion-weighted image quality and usefulness of anisotropic images

866

ABDOMINAL BODY FATNESS AMONG NIGERIAN WOMEN: A STUDY ON THE ANTHROPOMETRIC INDEX OF WAIST-TO-STATURE RATIO

867

Abdominal Burkitt’s lymphoma in Children

868

Abdominal cavity simulator for skill progression in videolaparoscopic sutures in Brazil

869

Abdominal circumference vs. estimated weight to predict large for gestational age birth weight in diabetic pregnancy

870

Abdominal cocoon complicated with early postoperative small bowel obstruction

871

Abdominal Cocoon Syndrome in a Child With Intestinal Obstruction: A Case Report and Literature Review

872

ABDOMINAL COMPARTMENT SYNDROME

873

Abdominal compartment syndrome

874

Abdominal Compartment Syndrome after Cesarean Section: A Case Report

875

Abdominal Compartment Syndrome After Late Repair of Bochdalek Hernia

876

Abdominal Compartment Syndrome complicating massive hemorrhage from an unusual presentation of ruptured ectopic pregnancy

877

Abdominal Compartment Syndrome due to OHSS

878

Abdominal Compartment Syndrome in an Infant with Severe Dengue: A Case Report

879

Abdominal Compartment Syndrome: A Rare Complication of Plication of the Diaphragm

880

Abdominal Complications After Heart Surgery

881

Abdominal Compressions Increase Vital Organ Perfusion During CPR in Dogs: Relation With Efficacy of Thoracic Compressions, , ,

882

Abdominal computed tomography in the evaluation of patients with asymptomatic iron deficiency anemia: A prospective study

883

Abdominal Computed Tomography of a Fatal Amphetamine Poisoning; Pitfalls of Diagnosis and Treatment

884

Abdominal contour surgery for the massive weight loss patient: the fleur-de-lis approach

885

Abdominal contour surgery: Treating all aesthetic units, including the mons pubis

886

Abdominal Contributions to Cardiorenal Dysfunction in Congestive Heart Failure

887

Abdominal cramp a an advere effect of travoprot

888

Abdominal Discoloration and the Predatory Mite Phytoseiulus persimilis Athias-Henriot: Prevalence of Symptoms and Their Correlation with Short-Term Performance

889

Abdominal Distension in an Eleven-Month-Old Male

890

Abdominal distention and shock in an infant

891

Abdominal Drawing-In Maneuver is Less Effective for Core Stability During High Load Tasks: A Systematic Review

892

Abdominal Endometriosis Arising in an Exstrophy Patient

893

Abdominal epilepsy

894

Abdominal Fat Distribution and Serum Lipids in Patients with and without Coronary Heart Disease

895

Abdominal granulocytic sarcomas: Demonstration by MRT

896

Abdominal Hernia in a Common Mynah (Acridotheres tristis) Associated With Hepatic Lipidosis and Concurrent Respiratory Aspergillosis

897

Abdominal hernia repair with bridging acellular dermal matrix—an expensive hernia sac

898

Abdominal herniation associated with bullhorn injury as a separate entity from traumatic abdominal wall hernias

899

Abdominal hysterectomy for the enlarged myomatous uterus compared with vaginal hysterectomy with morcellation

900

Abdominal imaging studies: comparison of diagnostic accuracies resulting from ultrasound, computed tomography, and magnetic resonance imaging in the same individual

901

Abdominal Implantation of Loop Recorders in Infants and Children

902

Abdominal Incisional Endometriosis Following Cesarean Section: Report of 2 Cases

903

Abdominal Inflammatory Myofibroblastic Tumor: Report on Four Cases and Review of Literature

904

Abdominal injury due to child abuse

905

Abdominal injury due to child abuse

906

Abdominal lump with intestinal obstruction: Prior history of abdominal surgery is a clue to diagnosis

907

Abdominal manifestations of sarcoidosis CT appearances

908

Abdominal muscles contribute in a minor way to peak spinal compression in lifting

909

Abdominal Neuroblastoma and Early Onset Acinetobacter Septicemia in a Newborn

910

Abdominal Obesity and All-Cause and Cardiovascular Mortality in End-Stage Renal Disease

911

Abdominal obesity as risk factor for prostate cancer diagnosis and high grade disease: A prospective multicenter Italian cohort study

912

Abdominal obesity as risk factor for prostate cancer diagnosis and high grade disease: A prospective multicenter Italian cohort study

913

Abdominal Obesity Increased Breast Cancer Risk

914

Abdominal Obesity Indicators: Waist Circumference or Waist‑to‑hip Ratio in Malaysian Adults Population

915

Abdominal obesity is associated with accelerated progression of carotid atherosclerosis in men

916

Abdominal Obesity: Role in the Pathophysiology of Metabolic Disease and Cardiovascular Risk

917

Abdominal or vaginal hysterectomy for enlarged uteri: A randomized clinical trial

918

Abdominal Pain after Cataract Surgery with Remifentanil Based Anesthesia

919

Abdominal pain and asthenia as common clinical features in hospitalized children for giardiasis

920

Abdominal pain and hemoperitoneum in the gravid patient: A case report of placenta percreta

921

Abdominal pain and lactic acidosis with ethylene glycol poisoning

922

Abdominal pain and melaena: an unusual cause

923

Abdominal Pain as an Initial Manifestation of Paroxysmal Supraventricular Tachycardia in Children

924

Abdominal Pain as Extrapulmonary Presentation of Pneumonia in an Adult: A Case Report

925

Abdominal pain etiology in cirrhotic patient

926

Abdominal pain in a child associated with dental amalgam ingestion

927

Abdominal pain in British young people: Associations, impairment and health care use

928

Abdominal Pain in Opiate Addicted Patients and Other Industrial Opiates

929

Abdominal pain in the ED: Stability and change over 20 years

930

Abdominal pain, hypertension, and thrombocytopenia

931

Abdominal pain-related functional gastrointestinal disorders based on Rome III criteria in a pediatric gastroenterology clinic

932

Abdominal Palpation for the Diagnosis of Abdominal Aortic Aneurysm

933

Abdominal positron-emission tomography lesions with increased standardized uptake values correlate with intraoperative findings

934

ABDOMINAL PREGNANCY

935

Abdominal Pregnancy

936

ABDOMINAL PREGNANCY A CASE REPORT

937

ABDOMINAL PREGNANCY WITH A FULL TERM LIVE FETUS: CASE REPORT

938

Abdominal sacral colpoperineopexy: A new approach for correction of posterior compartment defects and perineal descent associated with vaginal vault prolapse, ,

939

Abdominal sacral colpopexy or vaginal sacrospinous colpopexy for vaginal vault prolapse: A prospective randomized study

940

Abdominal sacral colpopexy with allograft fascia lata: One-year outcomes

941

Abdominal sacral suspensions: Analysis of complications using permanent mesh

942

Abdominal sacrohysteropexy in young women with uterovaginal prolapse: long-term follow-up

943

Abdominal Signs and Symptoms of COVID-19 in Children

944

Abdominal Splenosis: An Unusual Cause of Bowel Obstruction in a 7-Year-Old Child

945

Abdominal surgery reduces the ability of rat spleen cells to synthesize and secrete active tumour necrosis factor-alpha (TNF-alpha) by a multilevel regulation

946

Abdominal Symptoms and Incident Gallstones in a Population Unaware of Gallstone Status

947

Abdominal trauma in a semi-urban tertiary health institution

948

Abdominal Tuberculosis Mimicking Peritoneal Carcinomatosis

949

Abdominal tuberculosis presenting with peritonitis and enteroliths: report of a rare case and literature review

950

Abdominal Tuberculosis With a Cocoon

951

Abdominal Tuberculosis: Epidemiologic profile and management experience of 233 cases

952

Abdominal tuberculosis—experience of a University hospital in Oman

953

Abdominal Ultrasound: Principles and Techniques (CD-ROM): Marck Deutchman, Michael L. Manco-Johnson Newton, MA: Silver Platter Education, Inc., 1998, Thirty minutes of video, over 300 pages with graphic interfaces, 12 full-screen interactive 3D animation;

954

Abdominal vagi mediate c-Fos expression induced by X-ray irradiation in the nucleus tractus solitarii of the rat

955

Abdominal ventral hernia in a pigeon (Columba livia): a case report

956

Abdominal versus vaginal cerclage after a failed transvaginal cerclage: A systematic review

957

Abdominal volume index. an anthropometry-based index for estimation of obesity is strongly related to impaired glucose tolerance and type 2 diabetes mellitus

958

Abdominal wall anatomy: The key to a successful inguinal hernia repair

959

Abdominal wall closure in bladder exstrophy complex repair by rectus flap

960

Abdominal Wall Closure of Renal Transplant Recipients: An Undermined Challenge

961

Abdominal Wall Endometrioma: Ultrasonographic Features and Correlation with Clinical Findings

962

Abdominal wall endometriomas

963

Abdominal wall endometriosis: a surgeonʹs perspective and review of 445 cases

964

Abdominal Wall Endometriosis: Case Report and Review of Litera-ture

965

Abdominal Wall Hematoma Caused by an Exploded Phone and a Review of Mobile Phone-Related Hazards

966

Abdominal wall hernias in patients with abdominal aortic aneurysmal versus aortoiliac occlusive disease

967

Abdominal Wall Leiomyoma: A Case Report

968

Abdominal wall metastasis and peritoneal carcinomatosis after laparoscopic assisted colectomy for colon cancer

969

Abdominal Wall Reconstruction Using De-epithelialized Dermal Flap: A New Technique

970

Abdominal wall repair using human acellular dermis

971

Abdominal wall schwannoma: a case report

972

Abdominal Wall Synovial Sarcoma, a Rare Presentation

973

Abdominopelvic inspection during nonemergent laparoscopic procedures: who looks?

974

Abdominopelvic Pain in Patient with Uterus Didelphys and Unilateral Obstructed Hemivagina and Ipsilateral Renal Agenesis (OHVIRA Syndrome)

975

Abdominoperineal electrical injury involving urogenital organs

976

977

978

Abdominoplasty combined with additional surgery: A safety issue

979

Abdominoplasty following vertical banded gastroplasty for morbid obesity

980

Abdominoplasty in multiparous women with severe musculoaponeurotic laxity

981

Abdominoplasty with anchor plication and complete lipoplasty

982

Abdominoplasty without panniculus undermining and resection: Analysis and 3-year follow-up of 97 consecutive cases

983

Abdominoplasty wound-healing complications: assisted closure using foam suction dressing

984

Abdominoplasty: The Use of Stapled Prolene® Mesh in Severe Musculoaponeurotic Laxity, ,

985

Abdomino-sacral approach for coloanal anastomosis for lower rectal cancer

986

Abdomino-Thoracic Impalement: Challenges and Management in Remote Set up in North-East India

987

Abducen length and vulnerability?

988

Abducens nerve palsy as initial presentation of Burkitt Lymphoma during Pregnancy Post–Cesarean abducens nerve paresis and Headache

989

Abducens Nerve Paralysis Caused due to Increased Intracranial Pressure: A Case Report and Review of Literatures

990

Abducens palsy after lumbar puncture

991

Abducent nerve palsy during treatment of brucellosis

992

Abducing chances in hybrid humans as decision makers

993

Abduction in logic programming: A new definition and an abductive procedure based on rewriting Original Research Article

994

Abduction moment arm of transposed subscapularis tendon

995

Abduction, Reason and Science: Processes of Discovery and Explanation: Lorenzo Magnani (Ed.), Kluwer Academic/Plenum Publishers, New York, 2001, 224 pp., 25 figures, Hard-back, US$ 85, ISBN: 0-306-46514-0

996

Abduction, that ubiquitous form of reasoning

997

Abduction/adduction moment at the knee in stair climbing and level walking

998

Abduction: The Logic of Discovery of Grounded Theory

999

Abduction-adduction moments at the knee during stair ascent and descent

1000

Abduction–induction (generalization) processes of elementary majors on figural patterns in algebra

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