Prof. Dr. Mikhail V. Vener

Profile

Academic positionFull Professor
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation
KeywordsBader analysis of the electron density, Hydrogen bonds, Solid-state DFT, MD simulations, The IR spectrum

Current contact address

CountryRussian Federation
CityMoscow
InstitutionRussian Academy of Sciences
InstituteN.S. Kurnakov Institute of General and Inorganic Chemistry

Host during sponsorship

Prof. Dr. Dr. h.c. Joachim SauerArbeitsgruppe Quantenchemie, Humboldt-Universität zu Berlin, Berlin
Prof. Dr. Dr. h.c. Joachim SauerInstitut für Chemie, Humboldt-Universität zu Berlin, Berlin
Start of initial sponsorship01/01/1999

Programme(s)

1998Humboldt Research Fellowship Programme

Publications (partial selection)

2019I.Yu. Chernyshov, M.V. Vener, I.G. Shenderovich: Local-structure effects on 31P NMR chemical shift tensors in solid state. In: Journal of Chemical Physics, 150, 2019, 144706 (8 pages)
2016Elena Levina, Boris Lokshin, Bich Mai, Mikhail Vener Spectral features of guanidinium-carboxylate salt bridges. The combined ATR-IR and theoretical studies of aqueous solution of guanidinium acetate. In: Chemical Physics Letters, 2016, 117-120
2015M.V. Vener, A.V. Odinokov, C. Wehmeyer, D. Sebastiani: The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations. In: The Journal of Chemical Physics, 2015, 215106-215106-9
2009Mikhail V. Vener, Xavier Rozanska, Joachim Sauer: Protonation of water clusters in the cavities of acidic zeolites: (H2O)n•H-CHA, n=1-4. In: Physical Chemistry Chemical Physics, 2009, 1702-1712
2006Mikhail V. Vener: Proton dynamics in hydrogen-bonded crystals. In: Hynes J.T., Klinman J.P., Limbach H.-H., Schowen R.L., Hydrogen-transfer reactions. Handbook/Reference Book. Wiley-VCH, 2006. 273-299
2005Mikhail V. Vener, Joachim Sauer: Environmental effects on vibrational proton dynamics in H5O2+: DFT study on crystalline H5O2+ClO-. In: Physical Chemistry and Chemical Physics, 2005, 258-263
2001Mikhail V. Vener, Oliver Kuhn, Joachim Sauer: The infrared spectrum of the O...H...O fragment of H5O2+. Ab initio classical molecular dynamics and quantum 4D model calulations. In: Journal of Chemical Physics, 2001, 240-249
2001Mikhail V. Vener, Joachim Sauer: Vibrational spectra of the methanol tetramer in the OH stretch region. Two cyclic isomers and concerted proton tunneling. In: Journal of Chemical Physics, 2001, 2623-2628