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Vener, M.V. Proton dynamics in hydrogen-bonded crystals. In: Hydrogen-transfer reactions. Handbook/Reference book. Ed. Hynes J.T., Klinman J.P., Limbach H.-H., Schowen R.L. (Wiley-VCH, Weinheim), 2006, 273 - 299

Базилевский М.В., Венер М.В. Теоретические исследования реакций переноса протона и атома водорода в конденсированной фазе. Успехи Химии, 2003, 72, 3-39.

Sokolov, N.D., Vener, M.V. Construction of the model hydrogen bond potential energy surface and proton transfer dynamics. In: Proton transfer in hydrogen-bonded systems, Ed. Bountis, T. (Plenum Press, New York, 1992), 49-63.

Список публикаций по следующим направлениям:

A. Механизм переноса протона и спектральные свойства водородосвязанных кластеров

A10. Vener M.V., Kühn O., Bowman J.E. (2001):Vibrational spectrum of the formic acid dimer in the OH stretch region. A model three-dimensional study, Chem. Phys. Lett. 349, 562-570.

A9. Vener M.V., Sauer J. (2001) Vibrational spectra of the methanol tetramer in the OH stretch region. Two cyclic isomers and concerted proton tunneling, J. Chem. Phys. 114, 2623-2628.

A8. Vener M.V., Kühn O., Sauer J. (2001):The infrared spectrum of the O...H...O fragment of H5O2+. Ab initio classical molecular dynamics and quantum 4D model mechanical calculations, J. Chem. Phys. 114, 240-249.

A7. Vener M.V., Sauer J. (1999): Quantum anharmonic frequencies of the O...H...O fragment of the  H5O2+ ion. A model 3-D study, Chem. Phys. Lett. 312, 591-597.

A6. Vener, M.V., Iwata S. (1998): Model study of H-bonded R(OH)...(NH3)5 clusters: a search for a possible grounded-state proton-transfer species, Chem. Phys. Lett. 292, 87-91.

A5. Vener, M.V. (1998): 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, Chem. Phys. 233, 77 - 83.

A4. Siebrand, W., Zgierski, M.Z., Smedarchina, Z.K., Vener, M., Kaneti, J. (1997): The structure of phenol-ammonia clusters before and after proton transfer. A theoretical investigation. Chem. Phys. Lett. 266, 47-52.

A3. Vener, M.V. (1995): How reliable is the Lippincott-Schroeder potential for the OH...N hydrogen bonded fragment in the gas phase. Chem. Phys. Lett. 244, 89-92.

A2. Vener, M.V., Scheiner, S. (1995): Hydrogen bonding and proton transfer in the ground and lowest excited singlet states of o-hydroxyacetophenone. J. Phys. Chem. 99, 642-649.

А1. Vener, M.V., Scheiner, S., Sokolov, N.D. (1994): Theoretical study of hydrogen bonding and proton transfer in the ground and lowest excited singlet states of tropolone. J. Chem. Phys. 101, 9755-9765.

B. Моделирование реакций переноса заряда в полярных растворителях

B11. Vener M.V., Tovmash A.V., Rostov I.V., Basilevsky M.V. (2006) Molecular simulations of outersphere reorganization energies in polar and quadrupolar solvents. The case of intramolecular electron and hole transfer, J. Phys. Chem. B, 110, 14950 - 14955.

B10. Leontyev I.V., Tovmash A.V., Vener M.V., Rostov I.V., Basilevsky M.V. (2005) Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents, Chem. Phys., 319, 4-15.

B9. Vener M.V., Leontyev I.V., Basilevsky M.V. (2003): Computations of solvation free energies for polyatomic ions in water in terms of a combined molecular/continuum approach. J. Chem. Phys. 119, 8038-8046.

B8. Leontyev I.V., Vener M.V., Rostov I.V., Basilevsky M.V., Newton M.D. (2003): A continuum level treatment of electronic polarization in the framework of molecular simulations of solvation effects. J. Chem. Phys. 119, 8024-8037.

B7. Vener M.V., Leontyev I.V., Dyakov Y.A., Basilevsky M.V., Newton M.D. (2002): Application of the linearized MD approach for computing equilibrium solvation free energies of charged and dipolar solutes in polar solvents. J. Phys. Chem. B, 106, 13078 – 13088.

B6. Vener M.V., Rostov I.V., Soudackov A.V., Basilevsky M.V. (2000): Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents, Chem. Phys. 254, 249-265.

B5. Basilevsky, M.V., Vener, M.V., Parsons, D.F. (1999): An advanced continuum approaches for treating time correlation functions. The role of solute shape and solvent structure, J. Phys. Chem. A 103, 1171-1178.

B4. Basilevsky, M.V., Parsons, D.F., Vener, M.V. (1998): An advanced dielectric continuum aproach for treating solvation effects: time correlation functions. 1. Local treatment. J. Chem. Phys. 108, 1103 - 1114.

B3. Basilevsky, M.V., Vener, M.V., Davidovich, G.V., Soudackov, A.V. (1996): Dynamics of proton transfer reactions in polar solvent in the non-adiabatic two-state approximation: Test calculations for carbon-carbon reaction centres. Chem. Phys. 208, 267-282.

B2. Basilevsky, M.V., Soudackov, A.V., Vener, M.V. (1995): Electron-proton free-energy surfaces for proton transfer reaction in polar solvents: Test calculations for carbon-carbon reaction centres. Chem. Phys. 200, 87-106.

B1. Vener, M.V. (1992): Model study of the primary H/D isotope effects on the NMR chemical shift in strong hydrogen bonded systems. Chem. Phys. 166, 311-316.

C. Динамика перехода протона в молекулярных кристаллах с Н-связями

C7. Венер М.В., Зауер И. (2005): Влияние кристаллического окружения на поверхность потенциальной энергии систем с сильной Н-связью: ион Н5О2+. Химическая физика, 24, № 6, 39-43.

C6. Vener M.V., Sauer J. (2005): Environmental effects on vibrational proton dynamics in H5O2+: DFT study on crystalline H5O2+ClO4-, Phys. Chem. Chem. Phys., 7, 258-263.

C5. Sakun V.P., Vener, M.V., Sokolov, N.D. (1996): Proton tunnelling assisted by the inter-molecular vibration excitation. Temperature dependence of the proton spin-lattice relaxation time in benzoic acid powder. J. Chem. Phys. 105, 379-387.

C4. Sokolov, N.D., Vener, M.V. (1992): Proton tunnelling assisted by the intermolecular vibration excitation in solid state. Chem. Phys. 168, 29-40.

C3. Sokolov, N.D., Vener, M.V., Savel'ev, V.A. (1990): Tentative study of the strong hydrogen bond dynamics. II. Vibrational frequency considerations. J. Mol. Struct. 222, 365-386.

C2. Соколов Н.Д., Венер М.В., Савельев В.А. (1989): Динамика коротких водородных связей. Частоты и изотопные эффекты. Изв. АН СССР. Сер. Физ. 53, 1755-1758.

C1. Sokolov, N.D., Vener, M.V., Savel'ev, V.A. (1988): Tentative study of the strong hydrogen bond dynamics. I. Geometric isotope effects. J. Mol. Struct. 177, 93-110.

D. Квантово-топологический анализ Н-связей и нековалентных взаимодействий в изолированных комплексах и молекулярных кристаллах

D2. Vener M.V, Egorova A.N., Fomin D.P., Tsirelson V.G. (2007): QTAIM study of the closed-shell interactions in peptide secondary structures. A cluster treatment of oligo- and polyalanines. Chem. Phys. Lett., 440, 279 - 285.

D1. Vener M.V, Manaev A.V., Egorova A.N., Tsirelson V.G. (2007): QTAIM study of strong H-bonds with the O-H…A fragment (A = O, N) in the three-dimensional periodical crystals. J. Phys. Chem., A, 111, 1155 - 1162.

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