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Avdeev V.I.
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Ethylene Adsorption on the Pt-Cu Bimetallic Catalysts. Density Functional Theory Cluster Study
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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.
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Superoxide Radical Anions on the Surface of Zirconia and Sulfated Zirconia: Formation Mechanisms, Properties and Structure
PCCP: Physical Chemistry Chemical Physics. 2005.
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Моделирование активных центров нанесенных катализаторов V2O5/SiO2 и V2O5/TiO2. Теоретический анализ оптических свойств методом DFT
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Т.46. №4. С.599-612.
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Avdeev V.I.
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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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105
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Volodin A.M.
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Spin Design of Iron Complexes on Fe-ZSM-5 Zeolites
Catalysis Today. 2005.
V.110. N3-4. P.247-254. DOI: 10.1016/j.cattod.2005.09.025
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Zhidomirov G.M.
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Spectroscopic Identification of Adsorption Properties of Zn2+ Ions at Cationic Positions of High-Silica Zeolites with Distant Placing of Aluminium Ions
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V.114. N1-3. P.90-96. DOI: 10.1007/s00214-005-0648-x
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107
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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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Молекулярный механизм реакции прямого окисления алкенов закисью азота. Теоретический анализ методом DFT
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Electron Structure of Oxygen Complexes of Ferrous Ion Center
Chemical Physics Letters. 2005.
V.414. N4-6. P.434-437. DOI: 10.1016/j.cplett.2005.08.101
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Квантово-химическое исследование взаимодействия кластера Co₆ с поверхностью γ-оксида алюминия
Известия Академии наук. Серия химическая. 2005.
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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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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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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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Zilberberg I.L.
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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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Взаимодействие с носителями заряда и спектр оптического поглощения ассоциата элементарных дефектов в SiO2: вакансия кислорода / силиленовый центр
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Zhidomirov G.M.
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Structure and Reactivity of Metal Ion Species in High-Silica Zeolites
Глава монографии
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Kosheleva A.S.
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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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Avdeev V.I.
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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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Ruzankin S.P.
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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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Kachurovskaya N.A.
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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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