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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
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.
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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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.
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.
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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Chiral Fe nanotubes with both negative Poisson's ratio and Poynting's effect. Atomistic simulation.
Bryukhanov IA, Gorodtsov VA, Lisovenko DS.
Bryukhanov IA, et al.
J Phys Condens Matter. 2019 Nov 27;31(47):475304. doi: 10.1088/1361-648X/ab3a04. Epub 2019 Aug 9.
J Phys Condens Matter. 2019.
PMID: 31398716
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