121
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Patrakov A.E.
, Gritsenko V.A.
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Interaction with Charge Carriers and the Optical Absorption Spectrum of an Associate Formed by Elementary Defects
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Physics of the Solid State. 2004.
V.46. N11. P.2021-2025. DOI: 10.1134/1.1825543
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122
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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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123
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Рузанкин С.Ф.
, Авдеев В.И.
, Добрынкин Н.М.
, Жидомиров Г.М.
, Носков А.С.
Моделирование активных центров реакции синтеза аммиака.
Теоретическое изучение диссоциативной адсорбции N2
на кластерах Ru методом теории функционала плотности
Журнал структурной химии. 2003.
Т.44. №3. С.389-399.
РИНЦ
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124
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Ruzankin S.F.
, Avdeev V.I.
, Dobrynkin N.M.
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Modeling Active Centers in Ammonia Synthesis. DFT Study of Dissociative Adsorption of N2 on Ru Clusters
Journal of Structural Chemistry. 2003.
V.44. N3. P.341-350. DOI: 10.1023/B:JORY.0000009659.26326.cd
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125
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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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126
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Avdeev V.I.
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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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127
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Gritsenko V.A.
, Novikov Y.N.
, Shaposhnikov A.V.
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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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128
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Боровков В.Ю.
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Теоретическое и экспериментальное изучение природы каталитической активности систем VOx/Ti02
Кинетика и катализ. 2003.
Т.44. №5. С.774-782.
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129
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Borovkov V.Y.
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Theoretical and Experimental Studies of the Nature of the Catalytic Activity of VOx/TiO2 Systems
Kinetics and Catalysis. 2003.
V.44. N5. P.710-717. DOI: 10.1023/A:1026110610060
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130
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Gritsenko V.A.
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Valence Band Offset at Silicon/Silicon Nitride and Silicon Nitride/Silicon Oxide Interfaces
Thin Solid Films. 2003.
V.437. N1-2. P.135-139. DOI: 10.1016/S0040-6090(03)00601-1
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131
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Gritsenko V.A.
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Capturing Properties of a Threefold Coordinated Silicon Atom in Silicon Nitride: Positive Correlation Energy Model
Physics of the Solid State. 2003.
V.45. N11. P.2031-2035. DOI: 10.1134/1.1626733
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132
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Kachurovskaya N.A.
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Cluster Model DFT Study of the Intermediates of Benzene to Phenol Oxidation by N2O on FeZSM-5 Zeolites
Catalysis Letters. 2003.
V.86. N1-3. P.25-31. DOI: 10.1023/A:1022642521434
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133
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Shubin A.A.
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DFT Cluster Modeling of Molecular and Dissociative Hydrogen Adsorption on Zn2+ Ions with Distant Placing of Aluminum in the Framework of High-Silica Zeolites
Catalysis Letters. 2003.
V.90. N3-4. P.137-142. DOI: 10.1023/B:CATL.0000004107.24576.1c
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134
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Zhidomirov G.M.
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Molecular Mechanism of Ethylene Epoxidation on Silver: State of the Problem and Theoretical Approaches
В сборнике
Computational materials science : Proceedings of the NATO Advanced Study Institute on Computational Materials Science, 6-22 September 2001, Il Ciocco, Italy.
– IOS Press.,
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– C.334-358. – ISBN 9781586033354.
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135
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Gritsenko V.A.
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Onefold Coordinated Oxygen Atom: An Electron Trap in the Silicon Oxide
Microelectronics Reliability. 2003.
V.43. N4. P.665-669. DOI: 10.1016/S0026-2714(03)00030-1
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136
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Avdeev V.I.
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Mechanism of Direct Oxidation of Cyclohexene to Cyclohexanone with Nitrous Oxide. Theoretical Analysis by DFT Method
Chemical Communications. 2003.
V.9. N1. P.42-43. DOI: 10.1039/b208347g
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137
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Авдеев В.И.
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Свойства адсорбированных форм кислорода на дефектной поверхности Ag(111). Теоретический анализ методом DFT
Журнал структурной химии. 2002.
Т.43. №1. С.28-35.
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138
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Михеева Э.П.
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Кластерные модели нанесенного катализатора VOx/TiO2
Кинетика и катализ. 2002.
Т.43. №2. С.245-255.
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139
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Zilberberg I.
, Gora R.W.
, Zhidomirov G.M.
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Bonding in the Oxo Ferrous Iron Species: A Complete Active-Space Self-Consistent-Field Theory Verification of the Molecular-Oxygen-Like Pattern
Journal of Chemical Physics. 2002.
V.117. N15. P.7153-7161. DOI: 10.1063/1.1506913
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140
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Gritsenko V.A.
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Numerical Study of One-Fold Coordinated Oxygen Atom in Silicon Gate Oxide
В сборнике
Proceedings - IEEE Hong Kong Electron Devices Meeting, 9th, Hong Kong, China, June 22, 2002.
– Institute of Electrical and Electronics Engineers.,
2002.
– C.39-42. – ISBN 0780374290. DOI: 10.1109/HKEDM.2002.1029152
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