ليست عنوان مقالات لاتين Density functional and ab initio studies on N-acetyl-duocarmycin SA: insight into its DNA interaction properties Original Research Article Dental hypersensitivity in individuals with cleft lip and palate: Origin and therapies

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1

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

2

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

3

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

4

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

5

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

13

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

14

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

15

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

16

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

17

Density functional calculation of hydrogen-filled C60 molecules

18

Density functional calculation of K-shell spectra of small molecules

19

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

20

Density functional calculation of the electronic structure on insulin hexamer

21

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

22

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

23

Density functional calculations for polymers and clusters – progress and limitations

24

Density functional calculations for small iron clusters with substitutional phosphorus

25

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

26

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

27

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

28

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

29

Density functional calculations of dangling bonds for CN and SiN films

30

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

31

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

32

Density functional calculations of Fermi contact hyperfine coupling parameters

33

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

34

Density functional calculations of molecular electric properties in iron containing systems

35

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

36

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

37

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

38

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

39

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

40

Density functional calculations of the hyperpolarisabilities of small molecules

41

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

42

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

43

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

44

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

45

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

46

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

47

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

48

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

49

Density functional calculations on neon satellites

50

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

51

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

52

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

53

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

54

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

55

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

56

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

57

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

58

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

59

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

60

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

61

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

62

Density functional computations for inner-shell excitation spectroscopy

63

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

64

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

65

Density functional conformational analysis of 1,2-ethanediol

66

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

67

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

68

Density functional electronic structures calculations of GeSe2

69

Density functional embedding for molecular systems

70

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

71

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

72

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

73

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

74

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

75

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

76

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

77

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

78

Density functional investigation of the magnetic superstructure of Cu2MnSnS4

79

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

80

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

81

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

82

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

83

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

84

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

85

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

86

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

87

Density functional model of multireference systems based on geminals

88

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

89

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

90

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

91

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

92

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

93

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

94

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

95

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

96

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

97

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

98

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

99

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

100

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

101

Density functional studies of molecular chemisorption on TiO 110/

102

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

103

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

104

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

105

Density functional studies of selected metal dioxides Original Research Article

106

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

107

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

108

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

109

Density functional studies of the magnetic properties in nitrogen doped TiO2

110

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

111

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

112

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

113

Density functional studies on aniline dimer cations

114

Density functional studies on chromium catalyzed ethylene trimerization

115

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

116

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

117

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

118

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

119

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

120

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

121

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

122

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

123

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

124

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

125

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

126

Density functional study of aqueous uranyl(VI) fluoride complexes

127

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

128

Density functional study of bromine-doped lithium clusters

129

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

130

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

131

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

132

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

133

Density functional study of CO oxidation on Pt and PtMo

134

Density functional study of copper segregation in aluminum

135

Density functional study of crystalline polyethylene

136

Density functional study of cucurbituril and its sulfur analogue

137

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

138

Density functional study of elemental mercury adsorption on surfactants

139

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

140

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

141

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

142

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

143

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

144

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

145

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

146

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

147

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

148

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

149

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

150

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

151

Density functional study of molecular hydrogen coverage on carbon nanotubes

152

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

153

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

154

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

155

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

156

Density functional study of non-polar surfaces of wurtzite CdSe

157

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

158

Density functional study of NOx reduction in zeolite cage

159

Density functional study of n-propyltrichlorogermane and n-propyltrichlorostannane

160

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

161

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

162

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

163

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

164

Density functional study of small aqueous Be2+ clusters

165

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

166

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

167

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

168

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

169

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

170

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

171

Density functional study of surface properties of chromium

172

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

173

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

174

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

175

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

176

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

177

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

178

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

179

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

180

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

181

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

182

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

183

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

184

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

185

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

186

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

187

Density functional study of the hydrogen bonding: H2O·HO

188

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

189

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

190

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

191

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

192

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

193

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

194

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

195

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

196

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

197

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

198

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

199

Density functional study of the polymorphism of Cs2C2 and Rb2C2

200

Density functional study of the second row transition metal dimers

201

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

202

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

203

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

204

Density functional study of the TiO2–dopamine complex

205

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

206

Density functional study of the Xe2H3+ cation Original Research Article

207

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

208

Density functional study of W2 and W3 clusters

209

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

210

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

211

Density functional study of zigzag BN nanotubes with equivalent ends

212

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

213

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

214

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

215

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

216

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

217

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

218

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

219

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

220

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

221

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

222

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

223

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

224

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

225

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

226

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

227

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

228

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

229

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

230

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

231

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

232

Density functional theoretical study of transition metal carbohydrazide perchlorate complexes

233

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

234

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

235

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

236

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

237

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

238

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

239

Density functional theory analysis of reactivity of PtxPdy alloy clusters

240

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

241

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

242

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

243

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

244

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

245

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

246

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

247

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

248

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

249

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

250

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

251

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

252

Density functional theory applied to thermochemical calculations for phenol reactions

253

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

254

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

255

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

256

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

257

Density functional theory calculation of electron spectra of formaldehyde

258

Density functional theory calculation of electronic circular dichroism using London orbitals

259

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

260

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

261

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

262

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

263

Density Functional Theory Calculations for Diaminonaphthalene Molecules group

264

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

265

Density functional theory calculations for F−

266

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

267

Density functional theory calculations for resveratrol

268

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

269

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

270

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

271

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

272

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

273

Density functional theory calculations of adsorption-induced surface stress changes

274

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

275

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

276

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

277

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

278

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

279

Density functional theory calculations of molecular nitrogen on a ruthenium cluster

280

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

281

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

282

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

283

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

284

Density functional theory calculations of the visible spectrum of chlorophyll a

285

Density functional theory calculations of vibrational spectra of rhodium oxide clusters

286

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

287

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

288

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

289

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

290

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

291

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

292

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

293

Density functional theory description of excited-state intramolecular proton transfer

294

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

295

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

296

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

297

Density functional theory exploring the HONO potential energy surface

298

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

299

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

300

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

301

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

302

Density functional theory for non-uniform associating ionic fluids

303

Density functional theory for nuclei and hypernuclei

304

Density functional theory for open-shell singlet biradicals

305

Density functional theory for reactions of astrophysical interest

306

Density functional theory for reactions of astrophysical interest

307

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

308

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

309

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

310

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

311

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

312

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

313

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

314

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

315

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

316

Density functional theory investigation of the deprotonation of oxete

317

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

318

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

319

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

320

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

321

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

322

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

323

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

324

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

325

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

326

Density functional theory methods for characterization of porous materials

327

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

328

Density functional theory modelling of amorphous silicon

329

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

330

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

331

DENSITY FUNCTIONAL THEORY OF BIOLOGICALLY RELEVANTMETAL CENTERS

332

Density functional theory of bipolarons in polar liquids

333

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

334

Density functional theory of magnetic systems revisited

335

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

336

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

337

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

338

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

339

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

340

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

341

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

342

Density functional theory predictions of adsorption isotherms with hysteresis loops

343

Density functional theory predictions of the nonlinear optical properties of molecules

344

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

345

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

346

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

347

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

348

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

349

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

350

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

351

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

352

Density Functional Theory studies of hydroxybutanones

353

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

354

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

355

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

356

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

357

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

358

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

359

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

360

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

361

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

362

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

363

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

364

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

365

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

366

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

367

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

368

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

369

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

370

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

371

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

372

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

373

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

374

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

375

Density functional theory study of

376

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

377

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

378

Density Functional Theory Study of Anticancer/Nanocone in Biological Interaction

379

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

380

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

381

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

382

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

383

density functional theory study of benzoic acid decarboxylation

384

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

385

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

386

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

387

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

388

Density functional theory study of dipicolinic acid isomers and crystalline polytypes

389

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

390

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

391

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

392

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

393

Density functional theory study of ethylene partial oxidation on Ag7 clusters

394

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

395

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

396

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

397

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

398

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

399

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

400

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

401

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

402

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

403

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

404

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

405

Density Functional Theory Study of Magnesium Hydride Nano Clusters

406

Density Functional Theory Study of Magnesium Hydride Nano Clusters

407

Density Functional Theory Study of Methanol Conversion via Cold Plasmas

408

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

409

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

410

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

411

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

412

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

413

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

414

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

415

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

416

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

417

Density functional theory study of possible mechanisms of folic acid photodecomposition

418

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

419

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

420

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

421

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

422

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

423

Density functional theory study of single-wall platinum nanotubes

424

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

425

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

426

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

427

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

428

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

429

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

430

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

431

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

432

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

433

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

434

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

435

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

436

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

437

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

438

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

439

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

440

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

441

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

442

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

443

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

444

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

445

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

446

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

447

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

448

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

449

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

450

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

451

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

452

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

453

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

454

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

455

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

456

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

457

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

458

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

459

Density functional theory study of the vibrational properties of hydrogenated graphene

460

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

461

Density functional theory study of water adsorption on FeOOH surfaces

462

Density functional theory study of water adsorption on FeOOH surfaces

463

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

464

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

465

Density functional theory study on adsorption of Pt nanoparticle on graphene

466

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

467

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

468

Density functional theory study on crystal nickel phosphides

469

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

470

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

471

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

472

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

473

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

474

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

475

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

476

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

477

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

478

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

479

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

480

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

481

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

482

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

483

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

484

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

485

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

486

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

487

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

488

Density functional theory: excited states and spin annihilation

489

Density functional theory: Foundations reviewed

490

Density functional theory: Foundations reviewed

491

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

492

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

493

Density functional vibrational analysis using wavenumber-linear scale factors

494

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

495

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

496

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

497

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

498

Density functionals and van der Waals interactions at surfaces

499

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

500

Density functions of residence times for deterministic and stochastic compartmental systems

501

Density gradient bifurcation in tokamaks

502

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

503

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

504

Density gradient ultracentrifugation and stability of SWNT–peptide conjugates

505

Density gradients and springback: environmental influences

506

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

507

Density gradients and their determinants: Evidence from India

508

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

509

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

510

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

511

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

512

Density Implications of Shift Compensation Postprocessing in Holographic Storage Systems

513

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

514

Density improvement of carbonyl iron compacts by addition of titania powders

515

Density improvement of carbonyl iron compacts by addition of titania powders

516

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

517

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

518

Density improvement of the SRK equation of state

519

Density in locally compact topological groups

520

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

521

Density in small time at accessible points for jump processes

522

Density induced transition in a school of fish

523

Density Inequalities for Sets of Multiples Original Research Article

524

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

525

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

526

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

527

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

528

Density limits in helium plasmas at JET

529

Density limits in TEXTOR-94 auxiliary heated discharges

530

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

531

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

532

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

533

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

534

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

535

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

536

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

537

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

538

Density matrix functional theory in average and relative coordinates

539

Density matrix model for hydrogen transfer in the benzoic acid dimer

540

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

541

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

542

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

543

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

544

Density matrix renormalization group and reaction-diffusion processes

545

Density matrix renormalization group calculation of optical absorption in conjugated polymers

546

Density matrix theory for reductive electron transfer in DNA

547

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

548

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

549

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

550

Density Measurement of Molten CaF2 by an Electrostatic Levitator

551

Density Measurement of Molten Silicon by a Pycnometric Method

552

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

553

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

554

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

555

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

556

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

557

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

558

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

559

Density minoration of a strongly non-degenerated random variable

560

Density model for sodium hydroxide–sodium aluminate solutions

561

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

562

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

563

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

564

Density near zero

565

Density near zero

566

Density of , and ices at different temperatures of deposition

567

Density of alkali germanate glasses related to structure

568

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

569

Density of alternative fuel stations and refueling availability

570

Density of asteroids

571

Density of Balanced Convex-polynomials In LP(μ)

572

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

573

Density of basalt core from Hilo drill hole, Hawaii

574

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

575

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

576

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

577

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

578

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

579

Density of constant radius normal binary covering codes Original Research Article

580

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

581

Density of dentinal tubules affects the tensile strength of root dentin

582

Density of Dilates of a Shift Invariant Subspace

583

Density of discontinuities in the heliosphere Original Research Article

584

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

585

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

586

DENSITY OF ENERGY OF A PERIODICALLY UNSTUCK ELASTIC BEAM

587

Density of Extremal Sets in Multivariate Chebyshev Approximation

588

Density of fallen ash after the eruption of Tambora in 1815

589

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

590

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

591

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

592

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

593

Density of Gabor Frames

594

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

595

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

596

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

597

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

598

Density of impurity states in doped spherical quantum dots

599

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

600

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

601

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

602

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

603

Density of marine lipids in equilibrium with carbon dioxide

604

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

605

Density of molten sulfur in the 334–508 K range

606

Density of monodromy actions on non-abelian cohomology

607

Density of MORB eclogite in the upper mantle

608

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

609

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

610

Density of normal and associated liquids

611

Density of Normal Elements

612

Density of organic binary mixtures from equilibrium measurements

613

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

614

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

615

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

616

Density of peridotite melts at high pressure

617

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

618

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

619

Density of polynomials in certain weighted Dirichlet type spaces

620

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

621

Density of positive rank fibers in elliptic fibrations Original Research Article

622

Density of prelocalized states in mesoscopic NS systems

623

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

624

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

625

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

626

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

627

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

628

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

629

Density of states and the problem of Sm valence

630

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

631

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

632

Density of states evaluations from oscillating/moving grating techniques

633

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

634

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

635

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

636

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

637

Density of states in structurally disordered 1D chains of atoms

638

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

639

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

640

Density of states induced by a hydrogenic impurity in a metal

641

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

642

Density of states near Fermi level in PbS nanoparticle films

643

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

644

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

645

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

646

Density of states of DNA molecules with varied itinerant electrons

647

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

648

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

649

Density of Superheated and Undercooled Liquid Alumina by a Contactless Method

650

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

651

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

652

Density of the continental roots: compositional and thermal contributions

653

Density of the Periodic Points in the Interval Set

654

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

655

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

656

Density of vitreous silica

657

Density of wavelet frames

658

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

659

Density operators that extremize Tsallis entropy and thermal stability effects

660

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

661

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

662

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

663

Density parameter estimation of skewed α-stable distributions

664

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

665

Density perturbations in a braneworld universe with dark radiation

666

Density perturbations in multifield inflationary models

667

Density perturbations in the ekpyrotic Universe and string-inspired generalizations

668

Density perturbations in warm inflation and COBE normalization

669

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

670

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

671

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

672

Density profile and flow of miscible fluid with dissimilar constituent masses

673

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

674

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

675

Density profile asymptotes at the centre of dark matter halos

676

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

677

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

678

Density profiles for dimerizing fluid near a permeable surface

679

Density profiles in the theory of condensation

680

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

681

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

682

Density profiles of dark matter halos with anisotropic velocity tensors

683

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

684

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

685

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

686

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

687

Density propagation for surface tracking

688

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

689

Density Relaxation of Liquid–Vapor Critical Fluids in Earthʹs Gravity

690

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

691

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

692

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

693

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

694

Density segregation in a vertically vibrated granular bed

695

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

696

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

697

Density simulations in magnetic fluid-based separators

698

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

699

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

700

Density testing in a contaminated sample

701

Density theorems for ideal points in vector optimization

702

Density variations in scanned probe oxidation

703

Density versions of Schurʹs theorem for ideals generated by submeasures

704

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

705

Density wave-like charge dynamics in conducting polypyrrole

706

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

707

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

708

Density waves in the Calogero model – revisited Review Article

709

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

710

Density weighted support vector data description

711

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

712

Density zero slaloms Original Research Article

713

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

714

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

715

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

716

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

717

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

718

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

719

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

720

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

721

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

722

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

723

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

724

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

725

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

726

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

727

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

728

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

729

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

730

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

731

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

732

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

733

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

734

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

735

Density-based averaging – A new operator for data fusion

736

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

737

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

738

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

739

Density-based microaggregation for statistical disclosure control

740

Density-based retrieval from high-similarity image databases

741

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

742

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

743

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

744

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

745

Density-dependence as a size-independent regulatory mechanism

746

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

747

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

748

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

749

Density-dependent 17O magnetic shielding in the gas phase

750

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

751

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

752

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

753

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

754

Density-dependent effects of prey defenses and predator offenses

755

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

756

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

757

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

758

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

759

Density-dependent hydromechanical behaviour of a compacted expansive soil

760

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

761

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

762

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

763

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

764

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

765

Density-dependent morphological plasticity in Salvinia auriculata aublet

766

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

767

Density-dependent mother-yearling association in bighorn sheep

768

Density-Dependent Patch Exploitation and Acquisition of Environmental Information

769

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

770

Density-dependent regulation of arbuscular mycorrhiza by collembola

771

Density-dependent regulation of arbuscular mycorrhiza by collembola

772

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

773

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

774

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

775

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

776

Density-driven compactional flow in porous media

777

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

778

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

779

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

780

Density-driven Secondary Circulation in a Tropical Mangrove Estuary

781

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

782

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

783

Density-functional bridge between surfaces and interfaces

784

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

785

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

786

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

787

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

788

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

789

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

790

Density-functional derivatives from exact orbital functionals

791

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

792

Density-functional investigation of alloyed metallic nanowires Original Research Article

793

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

794

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

795

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

796

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

797

Density-functional studies of electronic properties of some conjugated polymers

798

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

799

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

800

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

801

Density-functional study of liquid methanol

802

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

803

Density-functional study of luminescence in polypyridine ruthenium complexes

804

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

805

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

806

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

807

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

808

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

809

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

810

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

811

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

812

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

813

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

814

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

815

Density-functional study of Zr-based actinide alloys

816

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

817

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

818

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

819

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

820

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

821

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

822

Density-functional theory characterization of acid sites in chabazite

823

Density-functional theory for attraction between like-charged plates

824

Density-Functional Theory for Complex Fluids

825

Density-functional theory investigation of oxidative corrosion of UO2

826

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

827

Density-functional theory of potassium atoms in zeolite

828

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

829

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

830

Density-functional theory studies on microscopic processes of gaas growth

831

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

832

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

833

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

834

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

835

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

836

Density-functional theory study on ferromagnetism in N:ZnS

837

Density-functional theory using an optimized exchange-correlation potential

838

Density-functional tight-binding for beginners

839

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

840

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

841

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

842

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

843

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

844

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

845

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

846

Density-induced margin support vector machines

847

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

848

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

849

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

850

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

851

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

852

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

853

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

854

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

855

Density–property relationships in collagen–glycosaminoglycan scaffolds

856

Density–property relationships in mineralized collagen–glycosaminoglycan scaffolds

857

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

858

Density–structure correlations in fluoride-containing bioactive glasses

859

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

860

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

861

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

862

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

863

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

864

Dentability indices with respect to measures of non-compactness

865

Dental abnormalities in children of fathers with substance use disorders

866

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

867

Dental abscess: A microbiological review

868

Dental adhesion review: Aging and stability of the bonded interface

869

Dental adhesives with bioactive and on-demand bactericidal properties

870

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

871

Dental age assessment among a group of children in Tanta city

872

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

873

Dental Age Estimation by Means of Video Spectral Comparator

874

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

875

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

876

Dental Amalgam and Selenium in Blood

877

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

878

Dental anaesthesia in a patient with Noonan syndrome

879

Dental and Anaesthetic Challenges in a Patient with Dystrophic Epidermolysis Bullosa

880

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

881

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

882

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

883

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

884

Dental and periodontal health status of subjects with sickle cell disease

885

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

886

Dental and skeletal characterization of the BR-1 minipig

887

Dental and skull anomalies in feral coypu, Myocastor coypus

888

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

889

DENTAL ANOMALIES OF PERMANENT INCISORS AND PREMOLARS

890

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

891

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

892

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

893

Dental approach to erosive tooth wear in gastroesophageal reflux disease

894

Dental Arch Dimension of Malay Ethnic Group

895

Dental Arch Dimensions of Nigerian Children with Hypertrophied Adenoids

896

Dental Arch Morphology in Iranian Population

897

Dental Arch Morphology in Iranian Population

898

Dental Articles Receiving the Most Online Attention in 2018

899

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

900

Dental Benefits Improve Access to Oral Care

901

Dental biomaterials and the healing of dental tissue

902

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

903

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

904

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

905

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

906

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

907

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

908

Dental Care for Patients Who Are Unable to Open Their Mouths

909

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

910

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

911

912

Dental caries analysis in 3–5 years old children: A spatial modelling

913

Dental Caries and Associated Factors in Children Aged 2-4 Years Old in Mbeya City, Tanzania

914

Dental caries and associated factors in mothers and their preschool and school children—A cross-sectional study

915

Dental caries and body mass index in a sample of 12-year-old eastern Turkish children

916

Dental caries and caries-associated microorganisms in the saliva and plaque of 3- and 4-year-old Afro-caribbean and Caucasian children in South London

917

Dental caries and chemical analyses in reconstruction of diet, health and hygienic behaviour in the Middle Euphrates valley (Syria)

918

Dental caries and gingival evaluation in children with congenital heart disease

919

Dental caries and its associated factors among children aged 8-12 years in Libyan schools, Klang Valley, Malaysia

920

Dental Caries and Its Story Through Time

921

Dental Caries and Pulpal Disease

922

Dental caries and social deprivation

923

Dental caries and the secretory activity of human labial minor salivary glands

924

Dental caries and treatment needs of Yemeni children with down syndrome

925

Dental caries associated with dietary and toothbrushing habits of 6- to 12-year-old mentally retarded children in Taiwan

926

Dental Caries Diagnostic Methods

927

Dental Caries Experience in 13‒19-year-old Iranian Students Expressed by DMFT and Significant Caries Index

928

Dental caries in 12-year-old suburban Nigerian school children

929

Dental Caries in Older Adults

930

Dental caries in preschool children in Bilac, Brazil

931

Dental caries in relation to socio‑behavioral factors of 6‑year‑old school children of Udaipur district, India

932

Dental Caries in the Aubesier 5 Neandertal Primary Molar

933

Dental caries prevalence among 12-14 year-old schoolchildren in Riyadh: A 14 year follow-up study of the Oral Health Survey of Saudi Arabia Phase I

934

Dental caries prevalence among a sample of African American adults in New York City

935

Dental Caries Prevalence and Incidence in Pediatric Dentistry

936

Dental Caries Prevalence in Human Immunodeficiency Virus Infected Patients Receiving Highly Active Anti-Retroviral Therapy in Kermanshah, Iran

937

Dental caries prevalence of medieval Korean people

938

Dental caries status and its associated factors in pregnant women, Shiraz, Iran, 2014

939

Dental Caries Status and its Related Factors in Iran: A Meta-Analysis

940

Dental caries status and risk indicators of dental caries among middle-aged adults in Shanghai, China

941

Dental caries with longterm use of antidepressants

942

Dental caries, tooth wear and diet in an adult medieval (12th–14th century) population from mediterranean France

943

Dental caries-protective agents in milk and milk products: investigations in vitro

944

Dental Cements for Definitive Luting: A Review and Practical Clinical Considerations

945

Dental ceramics: current thinking and trends

946

Dental complaints in emergency departments: A national perspective

947

Dental composite materials containing carolacton inhibit biofilm growth of Streptococcus mutans

948

Dental composites based on hybrid and surface-modified amorphous calcium phosphates

949

Dental Considerations After the Outbreak of 2019 Novel Coronavirus Disease: A Review of Literature

950

DENTAL CONSIDERATIONS FOR LEUKEMIC PEDIATRIC PATIENTS: AN UPDATED REVIEW FOR GENERAL DENTAL PRACTITIONER

951

Dental considerations in acrodermatitis enteropathica: A report of two cases

952

Dental Considerations in Ehlers-Danlos Syndrome: A Case Report

953

Dental Consultation Communication Checklist: Translation and Validation of the Persian Version

954

Dental Crowding: The Restorative Approach

955

Dental Decay and Associated Factors in Iranian Three-Year-Old Children

956

Dental discolouration after thermal treatment

957

Dental disease and nutrition

958

Dental Diseases of Acid Factory Workers Globally- Narrative Review Article

959

Dental Education and Oral Health Service in Iraq

960

Dental education: Lecture versus flipped and spaced learning

961

Dental Education: Restorative dentistry in Malaysia

962

Dental Educationʹs Role in Improving Childrenʹs Oral Health and Access to Care

963

Dental Environment Stress and The Related Factors in the Iranian Dental Students: A Systematic Review and Meta-Analysis

964

Dental epithelial histo-morphogenesis in the mouse: positional information versus cell history

965

966

Dental Erosion and Its Risk Factors in 12-year-old School Children in Mashhad

967

Dental erosion in deciduous teeth—an in vivo and in vitro study

968

Dental Erosion in Patients with Gastroesophageal Reflux Disease (GERD) in a Sample of Patients Referred to the Motahari Clinic, Shiraz, Iran

969

Dental erosion, gastro-oesophageal reflux disease and saliva: how are they related?

970

Dental erosion: possible approaches to prevention and control

971

Dental eruption and exfoliation chronology in the ferret (Mustela putorius furo)

972

Dental extractions in patients on warfarin: is alteration of anticoagulant regime necessary?

973

Dental extractions in Saudi children under general anesthesia at Armed Forces Hospital in Riyadh

974

Dental Faculty Experiences of Drug Prescription Patterns: A Qualitative Study

975

Dental Fear among Patients Referred to Dental Offices in Mashhad (Iran)

976

Dental Fear and Concomitant Factors in 3-6 Year-old Children

977

Dental Fear of Children and Its Relationship with Caries Experience

978

Dental fear with and without blood-injection fear: implications for dental health and clinical practice

979

Dental fillings and problems in the mouth

980

Dental Fillings Materials and Dental Management against Hypersensitivity Reaction of Stainless-Steel Crown: A Review

981

DENTAL FINDINGS IN MARFAN SYNDROME: A CASE REPORT

982

Dental fluorosis in ancient Herculaneum

983

Dental fluorosis in Tanzania Great Rift Valley in relation to fluoride levels in water and in ‘Magadi’ (Trona) Original Research Article

984

DENTAL FOLLICLE: ROLE IN DEVELOPMENT OF ODONTOGENIC CYSTS an‎d TUMOURS

985

DENTAL FORENSICS: BITEMARK ANALYSIS

986

Dental fracture risk of metal vs plastic laryngoscope blades in dental models

987

Dental fragment embedded in the lower lip after facial trauma: Brief review literature and report of a case

988

Dental health by age, gender, and residence place in 6- to 12-year-old children living in Shahroud, Iran

989

Dental health status among a sample of elderly dental patients in Riyadh, Saudi Arabia

990

Dental Health Status and Hygiene in Children and Adolescents with Type 1 Diabetes Mellitus

991

Dental health status and indicators of treatment needs of four Hispanic subgroups in New York City

992

Dental health status and risk factors for dental caries in adults in Istanbul, Turkey

993

Dental Health Status in 3-5 Year Old Kindergarten Children in Tehran-Iran in 2003

994

Dental Health Status in Hospitalized Psychiatric Patients in Sistan and Baluchestan Province, Iran

995

Dental Health Status of HIV-Positive Patients and Related Variables in Southeast Iran

996

Dental health status of institutionalized Saudi male chronic drug abusers

997

Dental Health Status of Junior High Schools Students Golpaygan City, Iran

998

Dental healthcare reforms in Germany and Japan: A comparison of statutory health insurance policy

999

Dental Hygiene Participation in Managing Incipient and Hidden Caries

1000

Dental hypersensitivity in individuals with cleft lip and palate: Origin and therapies

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