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A forgotten participant in pore deblocking of zeolites: dicarbonate in NaMeA zeolites, Me = Na, K, Rb, Cs.
Phys Chem Chem Phys. 2023 Jul 12;25(27):18233-18246. doi: 10.1039/d3cp00433c.
Phys Chem Chem Phys. 2023.
PMID: 37395130
CO diffusion as a re-orientation mechanism in the NaY zeolite.
Rybakov AA, Larin AV, Vercauteren DP.
Rybakov AA, et al.
Phys Chem Chem Phys. 2017 Aug 9;19(31):20930-20940. doi: 10.1039/c7cp03043f.
Phys Chem Chem Phys. 2017.
PMID: 28752864
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Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO2 in NaKA Zeolite.
Bryukhanov IA, Rybakov AA, Larin AV.
Bryukhanov IA, et al. Among authors: rybakov aa.
J Phys Chem Lett. 2019 May 2;10(9):2191-2195. doi: 10.1021/acs.jpclett.9b00519. Epub 2019 Apr 19.
J Phys Chem Lett. 2019.
PMID: 30978026
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Computational differentiation of Brønsted acidity induced by alkaline earth or rare earth cations in zeolites.
Rybakov AA, Larin AV, Zhidomirov GM.
Rybakov AA, et al.
Inorg Chem. 2012 Nov 19;51(22):12165-75. doi: 10.1021/ic301279v. Epub 2012 Nov 6.
Inorg Chem. 2012.
PMID: 23131140
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Chemical reduction of the elastic properties of zeolites: a comparison of the formation of carbonate species versus dealumination.
Bryukhanov IA, Rybakov AA, Kovalev VL, Larin AV, Zhidomirov GM.
Bryukhanov IA, et al. Among authors: rybakov aa.
Dalton Trans. 2015 Feb 14;44(6):2703-11. doi: 10.1039/c4dt02787f.
Dalton Trans. 2015.
PMID: 25407761
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The role of water in the elastic properties of aluminosilicate zeolites: DFT investigation.
Bryukhanov IA, Rybakov AA, Larin AV, Trubnikov DN, Vercauteren DP.
Bryukhanov IA, et al. Among authors: rybakov aa.
J Mol Model. 2017 Mar;23(3):68. doi: 10.1007/s00894-017-3237-8. Epub 2017 Feb 14.
J Mol Model. 2017.
PMID: 28197839
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Reconstruction and catalytic activity of hybrid Pd(100)/(111) monolayer on γ-Al2O3(100) in CH4, H2O, and O2 dissociation.
Rybakov AA, Todorova S, Trubnikov DN, Larin AV.
Rybakov AA, et al.
Dalton Trans. 2021 Jun 29;50(25):8863-8876. doi: 10.1039/d1dt01345a.
Dalton Trans. 2021.
PMID: 34100496
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Effective numbers of modes applied to analysis of internal dynamics of weakly bound clusters.
Rybakov AA, Belega ED, Trubnikov DN.
Rybakov AA, et al.
J Chem Phys. 2010 Oct 14;133(14):144101. doi: 10.1063/1.3496375.
J Chem Phys. 2010.
PMID: 20949981
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