Carbonate “door” in the NaKA zeolite as the reason of higher CO2 uptake relative to N2 AV Larin, A Mace, AA Rybakov, A Laaksonen Microporous and mesoporous materials 162, 98-104, 2012 | 25 | 2012 |
Oxide clusters as source of the third oxygen atom for the formation of carbonates in alkaline earth dehydrated zeolites AV Larin, AA Rybakov, GM Zhidomirov, A Mace, A Laaksonen, ... Journal of catalysis 281 (2), 212-221, 2011 | 24 | 2011 |
The role of water in the elastic properties of aluminosilicate zeolites: DFT investigation IA Bryukhanov, AA Rybakov, AV Larin, DN Trubnikov, DP Vercauteren Journal of molecular modeling 23, 1-12, 2017 | 18 | 2017 |
Theoretical identification of carbonate geometry in zeolites from IR spectra AV Larin, IA Bryukhanov, AA Rybakov, VL Kovalev, DP Vercauteren Microporous and mesoporous materials 173, 15-21, 2013 | 17 | 2013 |
DFT investigation of CO oxidation over Mg exchanged periodic zeolite models AA Rybakov, AV Larin, GM Zhidomirov, DN Trubnikov, DP Vercauteren Computational and Theoretical Chemistry 964 (1-3), 108-115, 2011 | 16 | 2011 |
Carbonates in zeolites: Formation, properties, reactivity AA Rybakov, IA Bryukhanov, AV Larin, GM Zhidomirov International Journal of Quantum Chemistry 115 (24), 1709-1717, 2015 | 13 | 2015 |
Role of distant Al atoms in alkaline earth zeolites for stabilization of hydroxyl groups AV Larin, AA Rybakov, GM Zhidomirov The Journal of Physical Chemistry C 116 (3), 2399-2410, 2012 | 12 | 2012 |
Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO2 in NaKA Zeolite IA Bryukhanov, AA Rybakov, AV Larin The Journal of Physical Chemistry Letters 10 (9), 2191-2195, 2019 | 11 | 2019 |
Influence of alkali cations on the inter-conversion of extra-framework aluminium species in dealuminated zeolites AA Rybakov, AV Larin, GM Zhidomirov Microporous and mesoporous materials 189, 173-180, 2014 | 11 | 2014 |
Description of nonrigid rotation in small atomic clusters AA Rybakov, ED Belega, DN Trubnikov The European Physical Journal D 41, 297-302, 2007 | 11 | 2007 |
Chemical reduction of the elastic properties of zeolites: a comparison of the formation of carbonate species versus dealumination IA Bryukhanov, AA Rybakov, VL Kovalev, AV Larin, GM Zhidomirov Dalton Transactions 44 (6), 2703-2711, 2015 | 10 | 2015 |
Computational differentiation of Brønsted acidity induced by alkaline earth or rare earth cations in zeolites AA Rybakov, AV Larin, GM Zhidomirov Inorganic Chemistry 51 (22), 12165-12175, 2012 | 10 | 2012 |
Эффективная размерность фазовой траектории в задаче визуализации эволюции динамической системы ЕД Белега, АА Рыбаков, ДН Трубников, АИ Чуличков Журнал вычислительной математики и математической физики 42 (12), 1891-1898, 2002 | 10 | 2002 |
Influence of carbonate species on elastic properties of NaX and NaKX zeolites IA Bryukhanov, AA Rybakov, VL Kovalev, AV Larin Microporous and mesoporous materials 195, 276-283, 2014 | 9 | 2014 |
Effective dimension of a phase trajectory in the visualization of dynamical systems ED Belega, AA Rybakov, DN Trubnikov, AI Chulichkov Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki 42 (12), 1891-1898, 2002 | 9 | 2002 |
Different limits for convergent Pd-Pd lengths in Pd slabs grown over different oxides AA Rybakov, IA Bryukhanov, AV Larin, S Todorova, GM Zhidomirov Structural Chemistry 30, 489-500, 2019 | 7 | 2019 |
Theoretical Analysis of Oxidative Carbonylation of Methanol: Saegusa’s Scheme of Dimethylcarbonate Synthesis over Binuclear Cationic Oxo-Clusters in CuNaX Zeolite AA Rybakov, IA Bryukhanov, AV Larin, GM Zhidomirov The Journal of Physical Chemistry C 122 (10), 5366-5375, 2018 | 7 | 2018 |
CO diffusion as a re-orientation mechanism in the NaY zeolite AA Rybakov, AV Larin, DP Vercauteren Physical Chemistry Chemical Physics 19 (31), 20930-20940, 2017 | 6 | 2017 |
Molecular Models of the Stabilization of Bivalent Metal Cations in Zeolite Catalysts GM Zhidomirov, AA Shubin, AV Larin, SE Malykhin, AA Rybakov Practical aspects of computational chemistry I: An overview of the last two …, 2012 | 6 | 2012 |
Influence of oxide support on Pd properties: A gain for O diffusion versus minor impact for CH4 dissociation AA Rybakov, IA Bryukhanov, AV Larin, S Todorova, DP Vercauteren, ... Catalysis Today 357, 368-379, 2020 | 5 | 2020 |