21
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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
WOS
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РИНЦ
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22
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Sadykov V.A.
, Kuznetsova T.G.
, Bunina R.V.
, Mezentseva N.V.
, Efremov D.K.
, Avdeev V.I.
, Doronin V.P.
, Kuznetsov V.L.
, Volodin A.M.
, Paukshtis E.A.
, Alikina G.M.
, Matyshak V.A.
, Lunin V.V.
Clays Pillared by Zirconia Nanoparticles: Structure, Adsorption and Catalytic Properties
In compilation
Nanoporous and Nanostructured Materials for Catalysis, Sensor and Gas Separation Applications : Proceedings of a meeting held 28 March - 1 April 2005, San Francisco, California, USA. Symposium A at the 2005 MRS Spring Meeting.
– Cambridge University Press ( CUP ) / Materials Research Society ( MRS ).,
2005.
– Т.1. – ISBN 9781558998308. DOI: 10.1557/proc-876-r8.21
Scopus
РИНЦ
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23
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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
WOS
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РИНЦ
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24
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Авдеев В.И.
, Рузанкин С.Ф.
, Жидомиров Г.М.
Молекулярный механизм реакции прямого окисления алкенов закисью азота. Теоретический анализ методом DFT
Кинетика и катализ. 2005.
Т.46. №2. С.191-202.
RSCI
РИНЦ
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25
|
Mezentseva N.V.
, Sadykov V.A.
, Avdeev V.I.
, Kuznetsov V.L.
Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2*8H2O Solutions
In compilation
Combinatorial Methods and Informatics in Materials Science: Volume 894 (MRS Proceedings) 1st Edition.
– Materials Research Society; 1st edition (May 17, 2006).,
2005.
– ISBN 1558998489. DOI: 10.1557/PROC-0894-LL06-05
WOS
Scopus
РИНЦ
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26
|
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
WOS
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РИНЦ
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27
|
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
WOS
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РИНЦ
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28
|
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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29
|
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
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РИНЦ
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30
|
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
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31
|
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
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РИНЦ
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32
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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
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33
|
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
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РИНЦ
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34
|
Авдеев В.И.
, Боронин А.И.
, Жидомиров Г.М.
Свойства адсорбированных форм кислорода на дефектной поверхности Ag(111). Теоретический анализ методом DFT
Журнал структурной химии. 2002.
Т.43. №1. С.28-35.
РИНЦ
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35
|
Avdeev V.I.
, Boronin A.I.
, Zhidomirov G.M.
Properties of Adsorbed Oxygen Forms on a Defective Ag(111) Surface. DFT Analysis
Journal of Structural Chemistry. 2002.
V.43. N1. P.26-32. DOI: 10.1023/A:1016009529685
WOS
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РИНЦ
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36
|
Avdeev V.I.
, Zhidomirov G.M.
Ethylene and Oxygen Species Adsorbed on a Defect Oxidized Surface Ag(1 1 1): Theoretical Analysis by DFT Method
Surface Science. 2001.
V.492. N1-2. P.137-151. DOI: 10.1016/S0039-6028(01)01431-5
WOS
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РИНЦ
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37
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Boronin A.I.
, Koshcheev S.V.
, Murzakhmetov K.T.
, Avdeev V.I.
, Zhidomirov G.M.
Associative Oxygen Species on the Oxidized Silver Surface Formed under O2 Microwave Excitation
Applied Surface Science. 2000.
V.165. N1. P.9-14. DOI: 10.1016/S0169-4332(00)00146-X
WOS
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РИНЦ
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38
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Тюпало Н.Ф.
, Захаров И.И.
, Колбасина О.И.
, Жидомиров Г.М.
, Авдеев В.И.
Неэмпирический расчет методом функционала плотности комплексов озона с этиленом
Журнал структурной химии. 2000.
Т.41. №2. С.240-247.
РИНЦ
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39
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Tyupalo N.F.
, Zakharov I.I.
, Kolbasina O.I.
, Zhidomirov G.M.
, Avdeev V.I.
Density Functional Calculation for Ozone-Ethylene Complexes
Journal of Structural Chemistry. 2000.
V.41. N2. P.194-199. DOI: 10.1007/BF02741582
WOS
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РИНЦ
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40
|
Avdeev V.I.
, Boronin A.I.
, Koshcheev S.V.
, Zhidomirov G.M.
Quasimolecular Stable Forms of Oxygen on Silver Surface. Theoretical Analysis by the Density Functional Theory Method
Journal of Molecular Catalysis A: Chemical. 2000.
V.154. N1-2. P.257-270. DOI: 10.1016/S1381-1169(99)00395-7
WOS
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РИНЦ
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