Comparison of All Sites for Ti Substitution in Zeolite TS-1 by an Accurate Embedded-Cluster Method
Deka, Ramesh Ch, Nasluzov, Vladimir A, Ivanova Shor, Elena A, Shor, Alexei M, Vayssilov, Georgi N, Rösch, Notker
Published in The journal of physical chemistry. B (29.12.2005)
Published in The journal of physical chemistry. B (29.12.2005)
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Journal Article
Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach
Shor, Aleksey M, Ivanova-Shor, Elena A, Chiorescu, Ion, Krüger, Sven, Rösch, Notker
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.05.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.05.2020)
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Journal Article
Manganese-gold-manganese complex with vinylidene and acetylide units
Verpekin, Victor V, Shor, Aleksey M, Vasiliev, Alexander D, Kondrasenko, Alexander A, Chudin, Oleg S, Ivanova-Shor, Elena A
Published in Dalton transactions : an international journal of inorganic chemistry (22.12.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (22.12.2020)
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Journal Article
Reverse Hydrogen Spillover onto Zeolite-Supported Metal Clusters: An Embedded Cluster Density Functional Study of Models M 6 (M = Rh, Ir, or Au)
Ivanova Shor, Elena A., Nasluzov, Vladimir A., Shor, Aleksey M., Vayssilov, Georgi N., Rösch, Notker
Published in Journal of physical chemistry. C (23.08.2007)
Published in Journal of physical chemistry. C (23.08.2007)
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Journal Article
Reverse Hydrogen Spillover onto Zeolite-Supported Metal Clusters: An Embedded Cluster Density Functional Study of Models M6 (M = Rh, Ir, or Au)
Ivanova Shor, Elena A, Nasluzov, Vladimir A, Shor, Aleksey M, Vayssilov, Georgi N, Rösch, Notker
Published in Journal of physical chemistry. C (23.08.2007)
Published in Journal of physical chemistry. C (23.08.2007)
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Journal Article
Spectroscopic Characteristics of the Methanol Decomposition Intermediates on a Platinum Nanocluster
Laletina, Svetlana S., Shor, Aleksey M., Nasluzov, Vladimir A., Ivanova-Shor, Elena A., Anatoly I., Rubaylo
Published in Journal of Siberian Federal University. Chemistry (01.06.2020)
Published in Journal of Siberian Federal University. Chemistry (01.06.2020)
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Journal Article
Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies
Vayssilov, Georgi N, Petrova, Galina P, Shor, Elena A. Ivanova, Nasluzov, Vladimir A, Shor, Alexei M, Petkov, Petko St, Rsch, Notker
Published in Physical chemistry chemical physics : PCCP (07.05.2012)
Published in Physical chemistry chemical physics : PCCP (07.05.2012)
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Density Functional Calculation of Dioxygen Adsorption at Complexes of Ceria Nanoparticle with Atoms, Trimers and Tetramers of Silver
Nasluzov, Vladimir A, Neyman, Konstantin M, Shor, Aleksey M, Laletina, Svetlana S, Ivanova-Shor, Elena A
Published in Journal of Siberian Federal University. Chemistry (01.01.2016)
Published in Journal of Siberian Federal University. Chemistry (01.01.2016)
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Journal Article
Effects of the Aluminum Content of a Zeolite Framework: A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment
Ivanova Shor, Elena A, Shor, Alexei M, Nasluzov, Vladimir A, Vayssilov, Georgi N, Rösch, Notker
Published in Journal of chemical theory and computation (01.05.2005)
Published in Journal of chemical theory and computation (01.05.2005)
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Journal Article
Characterization of metal – metal and metal – ligand interactions in binuclear MnPt vinylidene complexes by molecular orbital and charge density analyses
Shor, Aleksey M., Nasluzov, Vladimir A., Rubaylo, Anatoly I., Ivanova-Shor, Elena A.
Published in Journal of organometallic chemistry (01.03.2022)
Published in Journal of organometallic chemistry (01.03.2022)
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Journal Article
Metal–Metal and Metal–Ligand Bonding in Trinuclear Vinylidene Rhenium-Iron-Platinum Complex Studied by Topological Analysis of Electron Density
Shor, Aleksey M., Laletina, Svetlana S., Rubaylo, Anatoly I., Ivanova-Shor, Elena A.
Published in Journal of Siberian Federal University. Chemistry (01.12.2020)
Published in Journal of Siberian Federal University. Chemistry (01.12.2020)
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Journal Article
Small gold species at hydroxylated alumina surfaces. A computational study using embedded-cluster models of α-Al2O3(0001)
Nasluzov, Vladimir A., Shulimovich, Tatyana V., Ivanova-Shor, Elena A., Shor, Aleksey M., Rösch, Notker
Published in Chemical physics letters (19.07.2010)
Published in Chemical physics letters (19.07.2010)
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Journal Article
Small silver clusters at paramagnetic defects of silica surfaces
Shor, Aleksey M., Ivanova-Shor, Elena A., Laletina, Svetlana S., Nasluzov, Vladimir A., Rösch, Notker
Published in Surface science (01.09.2010)
Published in Surface science (01.09.2010)
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