101
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Avdeev V.I.
, Kovalchuk V.I.
, Zhidomirov G.M.
, d’Itri J.L.
Ethylene Adsorption on the Pt-Cu Bimetallic Catalysts. Density Functional Theory Cluster Study
Surface Science. 2005.
V.583. N1. P.46-59. DOI: 10.1016/j.susc.2005.03.021
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102
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Bedilo A.F.
, Plotnikov M.A.
, Mezentseva N.V.
, Volodin A.M.
, Zhidomirov G.M.
, Rybkin I.M.
, Klabunde K.J.
Superoxide Radical Anions on the Surface of Zirconia and Sulfated Zirconia: Formation Mechanisms, Properties and Structure
PCCP: Physical Chemistry Chemical Physics. 2005.
V.7. N16. P.3059-3069. DOI: 10.1039/b504262c
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103
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Avdeev V.I.
, Zhidomirov G.M.
Modeling the Active Centers of V2O5 /SiO2and V2O5 /TiO2 Supported Catalysts. DFT Theoretical Analysis of Optical Properties
Journal of Structural Chemistry. 2005.
V.46. N4. P.577-590. DOI: 10.1007/s10947-006-0174-2
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104
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Zhidomirov G.M.
, Shubin A.A.
, Kazansky V.B.
, van Santen R.A.
Spectroscopic Identification of Adsorption Properties of Zn2+ Ions at Cationic Positions of High-Silica Zeolites with Distant Placing of Aluminium Ions
Theoretical Chemistry Accounts. 2005.
V.114. N1-3. P.90-96. DOI: 10.1007/s00214-005-0648-x
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105
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Avdeev V.I.
, Ruzankin S.F.
, Zhidomirov G.M.
Molecular Mechanism of Direct Alkene Oxidation with Nitrous Oxide: DFT Analysis
Kinetics and Catalysis. 2005.
V.46. N2. P.177-188. DOI: 10.1007/s10975-005-0066-z
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106
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Михайлов М.Н.
, Жидомиров Г.М.
, Крылова А.Ю.
Квантово-химическое исследование взаимодействия кластера Co₆ с поверхностью γ-оксида алюминия
Известия Академии наук. Серия химическая. 2005.
№10. С.2194-2199.
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107
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Mikhailov M.N.
, Zhidomirov G.M.
, Krylova A.Y.
Interaction of Co6 Cluster with γ-Alumina Surface: A Quantum Chemical Study
Russian Chemical Bulletin. 2005.
V.54. N10. P.2264-2269. DOI: 10.1007/s11172-006-0108-3
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108
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Zhidomirov G.M.
, Shubin A.A.
, Kazansky V.B.
, van Santen R.
Possible Molecular Structure of Promoted Lewis Acidity Sites in ZnZSM-5
International Journal of Quantum Chemistry. 2004.
V.100. N4. P.489-494. DOI: 10.1002/qua.20158
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109
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Kachurovskaya N.A.
, Zhidomirov G.M.
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Computational Study of Benzene-to-Phenol Oxidation Catalyzed by N2O on Iron-Exchanged Ferrierite
The Journal of Physical Chemistry B. 2004.
V.108. N19. P.5944-5950. DOI: 10.1021/jp030264i
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110
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Frolova Y.V.
, Avdeev V.I.
, Ruzankin S.P.
, Zhidomirov G.M.
, Fedotov M.A.
, Sadykov V.A.
Experimental and Theoretical Studies of the Electronic Spectra of Mixed Framework Phosphates of Zr and Co
The Journal of Physical Chemistry B. 2004.
V.108. N22. P.6969-6980. DOI: 10.1021/jp0363500
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111
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Zilberberg I.L.
, Ruzankin S.F.
, Malykhin S.E.
, Zhidomirov G.M.
Unrestricted Density Functional Theory of the Bonding Between NO Radical and Ferrous Ion
Chemical Physics Letters. 2004.
V.394. N4-6. P.392-396. DOI: 10.1016/j.cplett.2004.06.144
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112
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Патраков А.Е.
, Гриценко В.А.
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Взаимодействие с носителями заряда и спектр оптического поглощения ассоциата элементарных дефектов в SiO2: вакансия кислорода / силиленовый центр
Физика твердого тела. 2004.
Т.46. №11. С.1955-1959.
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113
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Patrakov A.E.
, Gritsenko V.A.
, Zhidomirov G.M.
Interaction with Charge Carriers and the Optical Absorption Spectrum of an Associate Formed by Elementary Defects
(an Oxygen Vacancy and a Silylene Center) in SiO2
Physics of the Solid State. 2004.
V.46. N11. P.2021-2025. DOI: 10.1134/1.1825543
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114
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Kosheleva A.S.
, Yudanov I.V.
, Zhidomirov G.M.
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Copper Hydroxide Catalysts for Selective Oxidation: Quantum Chemical Study of Active Sites
Reaction Kinetics and Catalysis Letters. 2004.
V.82. N2. P.347-354. DOI: 10.1023/B:REAC.0000034847.89588.b2
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115
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Avdeev V.I.
, Zhidomirov G.M.
Models of Fnely Dispersed MgO and V2O5 on Silica. Theoretical Analysis of Optical Properties Using TDDFT
Research on Chemical Intermediates. 2004.
V.30. N1. P.41-64. DOI: 10.1163/156856704322798043
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116
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Ruzankin S.P.
, Zilberberg I.
, Zhidomirov G.M.
Closed and Open-Shell Atomic Oxygen on Silver: Two Distinct Patterns of the O1s Binding Energy and X-Ray Absorption
O K-Edge Spectra as Revealed by Density Functional Theory
Research on Chemical Intermediates. 2004.
V.30. N1. P.75-85. DOI: 10.1163/156856704322798061
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117
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Kachurovskaya N.A.
, Zhidomirov G.M.
, van Santen R.A.
Comparative Energies of Zn(II) Cation Localization as a Function of the Distance Between Two Forming Cation Position Aluminium Ions in High-Silica Zeolites
Research on Chemical Intermediates. 2004.
V.30. N1. P.99-103. DOI: 10.1163/156856704322798089
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118
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Авдеев В.И.
, Жидомиров Г.М.
Электронная структура и оптические свойства поверхностных F-центров оксида MgO. Теоретический анализ методом DFT
Журнал структурной химии. 2003.
Т.44. №6. С.995-1005.
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119
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Avdeev V.I.
, Zhidomirov G.M.
Electronic Structure and Optical Properties of the Surface F-Centers in MgO: A Theoretical Analysis by DFT Approach
Journal of Structural Chemistry. 2003.
V.44. N6. P.918-926. DOI: 10.1023/B:JORY.0000034796.26087.1d
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120
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Gritsenko V.A.
, Novikov Y.N.
, Shaposhnikov A.V.
, Wong H.
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Capturing Properties of Three-Fold Coordinated Silicon Atom in Silicon Nitride: A Positive Correlation Energy Model
Физика твердого тела. 2003.
V.45. N11. P.1934-1937.
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