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Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis
Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis
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Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis

Vener, M.V. ; Levina, E.O. ; Astakhov, A.A. ; Tsirelson, V.G.

Chemical physics letters, 2015-10, Vol.638, p.233-236 [Periódico revisado por pares]

Elsevier B.V

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Relationship between electron-phonon interaction and low-frequency Raman anisotropy in high-mobility organic semiconductors
Relationship between electron-phonon interaction and low-frequency Raman anisotropy in high-mobility organic semiconductors
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Relationship between electron-phonon interaction and low-frequency Raman anisotropy in high-mobility organic semiconductors

Sosorev, A Yu ; Maslennikov, D R ; Chernyshov, I Yu ; Dominskiy, D I ; Bruevich, V V ; Vener, M V ; Paraschuk, D Yu

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (28), p.18912-18918 [Periódico revisado por pares]

England: Royal Society of Chemistry

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Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions
Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions
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Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions

Vener, M.V. ; Egorova, A.N. ; Tsirelson, V.G.

Chemical physics letters, 2010-11, Vol.500 (4), p.272-276 [Periódico revisado por pares]

Elsevier B.V

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4
Model study of H-bonded ROH…(NH 3) 5 clusters: a search for possible ground-state proton transfer species
Model study of H-bonded ROH…(NH 3) 5 clusters: a search for possible ground-state proton transfer species
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Model study of H-bonded ROH…(NH 3) 5 clusters: a search for possible ground-state proton transfer species

Vener, M.V ; Iwata, S

Chemical physics letters, 1998-07, Vol.292 (1), p.87-91 [Periódico revisado por pares]

Elsevier B.V

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5
How reliable is the Lippincott-Schroeder potential for the OH…N hydrogen bonded fragment in the gas phase?
How reliable is the Lippincott-Schroeder potential for the OH…N hydrogen bonded fragment in the gas phase?
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How reliable is the Lippincott-Schroeder potential for the OH…N hydrogen bonded fragment in the gas phase?

Vener, M.V.

Chemical physics letters, 1995-09, Vol.244 (1), p.89-92 [Periódico revisado por pares]

Elsevier B.V

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6
QTAIMC study of the X–H/H⋯O bond order indices (X = O, N, C) in molecular systems
QTAIMC study of the X–H/H⋯O bond order indices (X = O, N, C) in molecular systems
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QTAIMC study of the X–H/H⋯O bond order indices (X = O, N, C) in molecular systems

Bartashevich, E.V. ; Nikulov, D.K. ; Vener, M.V. ; Tsirelson, V.G.

Computational and theoretical chemistry, 2011-10, Vol.973 (1), p.33-39 [Periódico revisado por pares]

Elsevier B.V

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7
QTAIM study of the closed-shell interactions in peptide secondary structures: A cluster treatment of oligo- and polyalanines
QTAIM study of the closed-shell interactions in peptide secondary structures: A cluster treatment of oligo- and polyalanines
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QTAIM study of the closed-shell interactions in peptide secondary structures: A cluster treatment of oligo- and polyalanines

Vener, M.V. ; Egorova, A.N. ; Fomin, D.P. ; Tsirelson, V.G.

Chemical physics letters, 2007-06, Vol.440 (4), p.279-285 [Periódico revisado por pares]

Elsevier B.V

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8
DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions
DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions
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DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions

Vener, M.V. ; Egorova, A.N. ; Fomin, D.P. ; Tsirelson, V.G.

Journal of molecular structure, 2010-05, Vol.972 (1), p.11-15 [Periódico revisado por pares]

Elsevier B.V

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9
Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents
Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents
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Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents

Leontyev, I.V. ; Tovmash, A.V. ; Vener, M.V. ; Rostov, I.V. ; Basilevsky, M.V.

Chemical physics, 2005-12, Vol.319 (1), p.4-15 [Periódico revisado por pares]

Elsevier B.V

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10
Quantum anharmonic frequencies of the O⋯ H⋯ O fragment of the H5O2+ ion: a model three-dimensional study
Quantum anharmonic frequencies of the O⋯ H⋯ O fragment of the H5O2+ ion: a model three-dimensional study
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Quantum anharmonic frequencies of the O⋯ H⋯ O fragment of the H5O2+ ion: a model three-dimensional study

Vener, M.V. ; Sauer, J.

Chemical physics letters, 1999-10, Vol.312 (5-6), p.591-597 [Periódico revisado por pares]

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