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A forgotten participant in pore deblocking of zeolites: dicarbonate in NaMeA zeolites, Me = Na, K, Rb, Cs

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (27), p.18233-18246

2023

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Complex study of the activity, stability and sulfur resistance of Pd/La2O3-CeO2-Al2O3 system as monolithic catalyst for abatement of methane

Chemical engineering journal (Lausanne, Switzerland : 1996), 2019-07, Vol.368, p.865-876

2019

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The Loewenstein rule: the increase in electron kinetic energy as the reason for instability of Al–O–Al linkage in aluminosilicate zeolites

Physics and chemistry of minerals, 2013-11, Vol.40 (10), p.771-780

Larin, Alexander V.

2013

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Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO2 in NaKA Zeolite

The journal of physical chemistry letters, 2019-05, Vol.10 (9), p.2191-2195

2019

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Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO 2 in NaKA Zeolite

The journal of physical chemistry letters, 2019-05, Vol.10 (9), p.2191-2195

2019

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Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites

Journal of computational chemistry, 2011-08, Vol.32 (11), p.2459-2473

Larin, Alexander V.

2011

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The influence of spatial limits on the modeling chemical reactivity: The example of CO2 hydration in MeX zeolites (Me = K, Rb, Cs)

International journal of quantum chemistry, 2019-03, Vol.119 (5), p.n/a

2019

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Similarities between amorphous and microcrystalline forms of hydrogenated silicon from periodic DFT modelling: coupled Si-H vibrations in (SiH)X groups, X = 2-4

Molecular physics, 2016-08, Vol.114 (15), p.2299-2304

2016

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Influence of alkali cations on the inter-conversion of extra-framework aluminium species in dealuminated zeolites

Microporous and mesoporous materials, 2014-05, Vol.189, p.173-180

2014

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Carbonates in zeolites: Formation, properties, reactivity

International journal of quantum chemistry, 2015-12, Vol.115 (24), p.1709-1717

2015

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Computational Differentiation of Brønsted Acidity Induced by Alkaline Earth or Rare Earth Cations in Zeolites

Inorganic chemistry, 2012-11, Vol.51 (22), p.12165-12175

2012

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The role of water in the elastic properties of aluminosilicate zeolites: DFT investigation

Journal of molecular modeling, 2017-03, Vol.23 (3), p.68-12, Article 68

2017

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Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups

Journal of physical chemistry. C, 2012-01, Vol.116 (3), p.2399-2410

2012

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Carbonates in Zeolites: Formation, Properties, Reactivity

International journal of quantum chemistry, 2016-02, Vol.116 (4), p.n/a

2016

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Oxide clusters as source of the third oxygen atom for the formation of carbonates in alkaline earth dehydrated zeolites

Journal of catalysis, 2011-07, Vol.281 (2), p.212-221

2011

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Carbonate “door” in the NaKA zeolite as the reason of higher CO2 uptake relative to N2

Microporous and mesoporous materials, 2012-11, Vol.162, p.98-104

2012

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Internal (SiH)X groups, X = 1-4, in microcrystalline hydrogenated silicon and their IR spectra on the basis of periodic DFT modelling

Molecular physics, 2014-04, Vol.112 (7), p.956-962

2014

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Similarities between amorphous and microcrystalline forms of hydrogenated silicon from periodic DFT modelling: coupled Si-H vibrations in (SiH) sub(X) groups, X = 2-4

Molecular physics, 2016-08, Vol.114 (15), p.2299-2304

2016

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Carbonate "door" in the NaKA zeolite as the reason of higher CO2 uptake relative to N-2

Microporous and mesoporous materials, 2012-11, Vol.162, p.98

2012

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The influence of spatial limits on the modeling chemical reactivity: The example of CO 2 hydration in MeX zeolites (Me = K, Rb, Cs)

International journal of quantum chemistry, 2019-03, Vol.119 (5)

2019

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DFT modeling of plasma-assisted atomic layer deposition for Si(110) passivation: formation of boehmite-like chains as γ-Al2O3 precursors

Theoretical chemistry accounts, 2016-06, Vol.135 (6), Article 152

2016

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Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups

Journal of physical chemistry. C, 2012, Vol.116 (3), p.2399-2410

2012

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Carbonate door in the NaKA zeolite as the reason of higher CO2 uptake relative to N2

Microporous and mesoporous materials, 2012, Vol.162, p.98-104

2012

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Internal (SiH) sub(X) groups, X = 1-4, in microcrystalline hydrogenated silicon and their IR spectra on the basis of periodic DFT modelling

Molecular physics, 2014-04, Vol.112 (7), p.956-962

2014

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DFT investigation of CO oxidation over Mg exchanged periodic zeolite models

Computational and theoretical chemistry, 2011-03, Vol.964 (1-3), p.108-115

2011

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A forgotten participant in pore deblocking of zeolites: dicarbonate in NaMeA zeolites, Me = Na, K, Rb, Cs

Complex study of the activity, stability and sulfur resistance of Pd/La2O3-CeO2-Al2O3 system as monolithic catalyst for abatement of methane

The Loewenstein rule: the increase in electron kinetic energy as the reason for instability of Al–O–Al linkage in aluminosilicate zeolites

Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO2 in NaKA Zeolite

Carbonate-Promoted Drift of Alkali Cations in Small Pore Zeolites: Ab Initio Molecular Dynamics Study of CO 2 in NaKA Zeolite

Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites

The influence of spatial limits on the modeling chemical reactivity: The example of CO2 hydration in MeX zeolites (Me = K, Rb, Cs)

Similarities between amorphous and microcrystalline forms of hydrogenated silicon from periodic DFT modelling: coupled Si-H vibrations in (SiH)X groups, X = 2-4

Influence of alkali cations on the inter-conversion of extra-framework aluminium species in dealuminated zeolites

Carbonates in zeolites: Formation, properties, reactivity

Computational Differentiation of Brønsted Acidity Induced by Alkaline Earth or Rare Earth Cations in Zeolites

The role of water in the elastic properties of aluminosilicate zeolites: DFT investigation

Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups

Carbonates in Zeolites: Formation, Properties, Reactivity

Oxide clusters as source of the third oxygen atom for the formation of carbonates in alkaline earth dehydrated zeolites

Carbonate “door” in the NaKA zeolite as the reason of higher CO2 uptake relative to N2

Internal (SiH)X groups, X = 1-4, in microcrystalline hydrogenated silicon and their IR spectra on the basis of periodic DFT modelling

Similarities between amorphous and microcrystalline forms of hydrogenated silicon from periodic DFT modelling: coupled Si-H vibrations in (SiH) sub(X) groups, X = 2-4

Carbonate "door" in the NaKA zeolite as the reason of higher CO2 uptake relative to N-2

The influence of spatial limits on the modeling chemical reactivity: The example of CO 2 hydration in MeX zeolites (Me = K, Rb, Cs)

DFT modeling of plasma-assisted atomic layer deposition for Si(110) passivation: formation of boehmite-like chains as γ-Al2O3 precursors

Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups

Carbonate door in the NaKA zeolite as the reason of higher CO2 uptake relative to N2

Internal (SiH) sub(X) groups, X = 1-4, in microcrystalline hydrogenated silicon and their IR spectra on the basis of periodic DFT modelling

DFT investigation of CO oxidation over Mg exchanged periodic zeolite models

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