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

Chemical physics letters, 2015-10, Vol.638, p.233-236

2015

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

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (28), p.18912-18918

2018

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

Chemical physics letters, 2010-11, Vol.500 (4), p.272-276

2010

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

Chemical physics letters, 1998-07, Vol.292 (1), p.87-91

1998

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

Chemical physics letters, 1995-09, Vol.244 (1), p.89-92

Vener, M.V.

1995

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

Computational and theoretical chemistry, 2011-10, Vol.973 (1), p.33-39

2011

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

Chemical physics letters, 2007-06, Vol.440 (4), p.279-285

2007

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

Journal of molecular structure, 2010-05, Vol.972 (1), p.11-15

2010

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

Chemical physics, 2005-12, Vol.319 (1), p.4-15

2005

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

Chemical physics letters, 1999-10, Vol.312 (5-6), p.591-597

1999

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Quantum anharmonic frequencies of the O⋯ H⋯ O fragment of the H 5O 2+ ion: a model three-dimensional study

Chemical physics letters, 1999, Vol.312 (5), p.591-597

1999

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Model study of proton transfer in a H-bonded cluster with an A–H...B reaction complex. Introduction of an effective coordinate for the solvation shell

Chemical physics, 1998-07, Vol.233 (1), p.77-83

Vener, M.V.

1998

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Tentative study of the strong hydrogen bond dynamics

Journal of molecular structure, 1988-07, Vol.177, p.93-110

1988

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Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents

Chemical physics, 2000-04, Vol.254 (2), p.249-265

2000

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On the adiabatic separation of the vibrational variables of a hydrogen-bonded AHA fragment with a symmetric double-well potential

Chemical physics letters, 1997-01, Vol.264 (3), p.429-434

1997

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Electron-proton free-energy surfaces for proton transfer reaction in polar solvents: test calculations for carbon-carbon reaction centres

Chemical physics, 1995-11, Vol.200 (1-2), p.87-106

1995

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Model study of the primary H/D isotope effects on the NMR chemical shift in strong hydrogen-bonded systems

Chemical physics, 1992-10, Vol.166 (3), p.311-316

Vener, M.V.

1992

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Tentative study of strong hydrogen bond dynamics: Part II. Vibrational frequency considerations

Journal of molecular structure, 1990-05, Vol.222 (3), p.365-386

1990

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Intensity distribution in the fluorescence low-frequency mode progressions of the “slightly” asymmetric hydrogen bonded AHB fragment

Chemical physics, 1994-12, Vol.189 (3), p.593-602

Vener, M.V.

1994

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Dynamics of proton transfer reactions in polar solvent in the non-adiabatic two-state approximation: test calculations for carbon-carbon reaction centre

Chemical physics, 1996-08, Vol.208 (2), p.267-282

1996

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Proton tunnelling assisted by the intermolecular vibration excitation in solid state

Chemical physics, 1992-12, Vol.168 (1), p.29-40

1992

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Theoretical study of homogeneous electron self-exchange in polar aromatic molecules: the role of the reactant structure

Journal of electroanalytical chemistry (Lausanne, Switzerland), 1994-06, Vol.370 (1), p.33-39

1994

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Tentative study of strong hydrogen bond dynamics

Journal of molecular structure, 1990-05, Vol.222 (3-4), p.365-386

1990

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Collective medium coordinates and their application in the theory of chemical reactions

Journal of molecular structure. Theochem, 1997-06, Vol.398, p.81-92

1997

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

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

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

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

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

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

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

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

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

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 H 5O 2+ ion: a model three-dimensional study

Model study of proton transfer in a H-bonded cluster with an A–H...B reaction complex. Introduction of an effective coordinate for the solvation shell

Tentative study of the strong hydrogen bond dynamics

Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents

On the adiabatic separation of the vibrational variables of a hydrogen-bonded AHA fragment with a symmetric double-well potential

Electron-proton free-energy surfaces for proton transfer reaction in polar solvents: test calculations for carbon-carbon reaction centres

Model study of the primary H/D isotope effects on the NMR chemical shift in strong hydrogen-bonded systems

Tentative study of strong hydrogen bond dynamics: Part II. Vibrational frequency considerations

Intensity distribution in the fluorescence low-frequency mode progressions of the “slightly” asymmetric hydrogen bonded AHB fragment

Dynamics of proton transfer reactions in polar solvent in the non-adiabatic two-state approximation: test calculations for carbon-carbon reaction centre

Proton tunnelling assisted by the intermolecular vibration excitation in solid state

Theoretical study of homogeneous electron self-exchange in polar aromatic molecules: the role of the reactant structure

Tentative study of strong hydrogen bond dynamics

Collective medium coordinates and their application in the theory of chemical reactions

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