Prof. Dr. Mikhail V. Vener

Profil

Derzeitige StellungProfessor W-3 und Äquivalente
FachgebietTheoretische Chemie: Elektronenstruktur, Dynamik, Simulation
KeywordsBader analysis of the electron density, Hydrogen bonds, Solid-state DFT, MD simulations, The IR spectrum

Aktuelle Kontaktadresse

LandRussische Föderation
OrtMoscow
Universität/InstitutionRussian Academy of Sciences
Institut/AbteilungN.S. Kurnakov Institute of General and Inorganic Chemistry

Gastgeber*innen während der Förderung

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
Beginn der ersten Förderung01.01.1999

Programm(e)

1998Humboldt-Forschungsstipendien-Programm

Publikationen (Auswahl)

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