121
|
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
WOS
Scopus
РИНЦ
|
122
|
Патраков А.Е.
, Гриценко В.А.
, Жидомиров Г.М.
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.
РИНЦ
|
123
|
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
|
124
|
Ruzankin S.F.
, Avdeev V.I.
, Dobrynkin N.M.
, Zhidomirov G.M.
, Noskov A.S.
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
WOS
Scopus
РИНЦ
|
125
|
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.
РИНЦ
|
126
|
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
WOS
Scopus
РИНЦ
|
127
|
Gritsenko V.A.
, Novikov Y.N.
, Shaposhnikov A.V.
, Wong H.
, Zhidomirov G.M.
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.
РИНЦ
|
128
|
Боровков В.Ю.
, Михеева Э.П.
, Жидомиров Г.М.
, Лапина О.Б.
Теоретическое и экспериментальное изучение природы каталитической активности систем VOx/Ti02
Кинетика и катализ. 2003.
Т.44. №5. С.774-782.
РИНЦ
|
129
|
Borovkov V.Y.
, Mikheeva E.P.
, Zhidomirov G.M.
, Lapina O.B.
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
WOS
Scopus
РИНЦ
|
130
|
Gritsenko V.A.
, Shaposhnikov A.V.
, Kwok W.M.
, Wong H.
, Jidomirov G.M.
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
WOS
Scopus
РИНЦ
|
131
|
Gritsenko V.A.
, Novikov Y.N.
, Shaposhnikov A.V.
, Wong H.
, Zhidomirov G.M.
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
WOS
Scopus
РИНЦ
|
132
|
Kachurovskaya N.A.
, Zhidomirov G.M.
, Hensen E.J.M.
, van Santen R.A.
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
WOS
Scopus
РИНЦ
|
133
|
Shubin A.A.
, Zhidomirov G.M.
, Kazansky V.B.
, van Santen R.
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
WOS
Scopus
РИНЦ
|
134
|
Zhidomirov G.M.
, Avdeev V.I.
, Boronin A.I.
Molecular Mechanism of Ethylene Epoxidation on Silver: State of the Problem and Theoretical Approaches
In compilation
Computational materials science : Proceedings of the NATO Advanced Study Institute on Computational Materials Science, 6-22 September 2001, Il Ciocco, Italy.
– IOS Press.,
2003.
– C.334-358. – ISBN 9781586033354.
WOS
|
135
|
Gritsenko V.A.
, Shaposhnikov A.V.
, Novikov Y.N.
, Baraban A.P.
, Wong H.
, Zhidomirov G.M.
, Roger M.
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
WOS
Scopus
РИНЦ
|
136
|
Avdeev V.I.
, Ruzankin S.P.
, Zhidomirov G.M.
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
WOS
Scopus
РИНЦ
|
137
|
Kachurovskaya N.A.
, Zhidomirov G.M.
, Minot C.
Periodic DFT Study of Isomorphous Incorporation of a V Ion into (100) and (001) aAnatase Surface Layers
Surface Review and Letters. 2002.
V.9. N3-4. P.1425-1430. DOI: 10.1142/S0218625X02003962
WOS
Scopus
РИНЦ
|
138
|
Kachurovskaya N.A.
, Mikheeva E.P.
, Zhidomirov G.M.
Cluster Molecular Modeling of Strong Interaction for VOx/TiO2 Supported Catalyst
Journal of Molecular Catalysis A: Chemical. 2002.
V.178. N1-2. P.191-198. DOI: 10.1016/S1381-1169(01)00301-6
WOS
Scopus
РИНЦ
|
139
|
Shaposhnikov A.V.
, Gritsenko V.A.
, Zhidomirov G.M.
, Roger M.
Hole Trapping on the Twofold-Coordinated Silicon Atom in SiO2
Physics of the Solid State. 2002.
V.44. N6. P.1028-1030. DOI: 10.1134/1.1485002
WOS
Scopus
РИНЦ
|
140
|
Gritsenko V.A.
, Shaposhnikov A.V.
, Zhidomirov G.M.
, Roger M.
Two Fold Coordinated Silicon Atom: A Hole Trap in SiO2
Solid State Communications. 2002.
V.121. N6-7. P.301-304. DOI: 10.1016/S0038-1098(02)00022-4
WOS
Scopus
РИНЦ
|