M
Mikhail V. Vener
Researcher at D. Mendeleev University of Chemical Technology of Russia
Publications - 83
Citations - 2067
Mikhail V. Vener is an academic researcher from D. Mendeleev University of Chemical Technology of Russia. The author has contributed to research in topics: Hydrogen bond & Intermolecular force. The author has an hindex of 23, co-authored 77 publications receiving 1714 citations. Previous affiliations of Mikhail V. Vener include Moscow State University & Hebrew University of Jerusalem.
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Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions
TL;DR: The linear relationship between Gb and EHB is basis set superposition error (BSSE) free and allows to estimate the H‐bond energy without computing it by means of the supramolecular approach, and the Gb value can be recommended to be obtained from both density functional theory (DFT) computations with periodic boundary conditions and precise X‐ray diffraction experiments.
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How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study
Sergey A. Katsyuba,Mikhail V. Vener,Elena E. Zvereva,Zhaofu Fei,Rosario Scopelliti,Gábor Laurenczy,Ning Yan,Emilia Păunescu,Paul J. Dyson +8 more
TL;DR: Hydrogen bonding in ionic liquids based on the 1-(2'-hydroxylethyl)-3-methylimidazolium cation and various anions of differing H-bond acceptor strength was studied by a range of spectroscopic and computational techniques and by single crystal X-ray diffraction.
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The infrared spectrum of the O⋯H⋯O fragment of H5O2+: Ab initio classical molecular dynamics and quantum 4D model calculations
TL;DR: In this paper, the gas phase IR spectrum of H5O2+ and its deuterated analogue is calculated using ab initio classical molecular dynamics based on a MP2 potential energy surface.
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QTAIM study of strong H-bonds with the O-H...a fragment (A=O, N) in three-dimensional periodical crystals.
TL;DR: The relationship between the d(H...A) distance and the topological properties at the H...A bond critical point of 37 strong (short) hydrogen bonds occurring in 26 molecular crystals are analyzed using the quantum theory of atoms in molecules (QTAIM).
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Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis
Anastasia V. Shishkina,Vladimir V. Zhurov,Adam I. Stash,Mikhail V. Vener,A. Alan Pinkerton,Vladimir G. Tsirelson +5 more
TL;DR: In this article, a detailed description of noncovalent interactions of different types and strengths in the title crystal using a combined experimental and theoretical study of the charge density distribution is provided.