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Ethylene Adsorption on the Pt-Cu Bimetallic Catalysts. Density Functional Theory Cluster Study
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Моделирование активных центров нанесенных катализаторов V2O5/SiO2 и V2O5/TiO2. Теоретический анализ оптических свойств методом DFT
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Volodin A.M.
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Catalysis Today. 2005.
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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
Theoretical Chemistry Accounts. 2005.
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Молекулярный механизм реакции прямого окисления алкенов закисью азота. Теоретический анализ методом DFT
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V.414. N4-6. P.434-437. DOI: 10.1016/j.cplett.2005.08.101
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Cheminform. 2005.
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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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Computational Study of Benzene-to-Phenol Oxidation Catalyzed by N2O on Iron-Exchanged Ferrierite
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V.108. N19. P.5944-5950. DOI: 10.1021/jp030264i
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Experimental and Theoretical Studies of the Electronic Spectra of Mixed Framework Phosphates of Zr and Co
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V.108. N22. P.6969-6980. DOI: 10.1021/jp0363500
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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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V.46. N11. P.2021-2025. DOI: 10.1134/1.1825543
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Copper Hydroxide Catalysts for Selective Oxidation: Quantum Chemical Study of Active Sites
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Models of Fnely Dispersed MgO and V2O5 on Silica. Theoretical Analysis of Optical Properties Using TDDFT
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Closed and Open-Shell Atomic Oxygen on Silver: Two Distinct Patterns of the O1s Binding Energy and X-Ray Absorption
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Т.44. №5. С.774-782.
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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
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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
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