Vladimir G. Tsirelson

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 6

Top Topics

Virtual Screening

Chemical Reactions

Top Venues

J. Comput. Chem.

Supercomput. Front. Innov.

Publications

Elena O. Levina, Vladimir G. Tsirelson
DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals. J. Comput. Chem. 44 (22) (2023)
Elena O. Levina, Maria G. Khrenova, Andrey A. Astakhov, Vladimir G. Tsirelson
Keto-enol tautomerism from the electron delocalization perspective. J. Comput. Chem. 43 (15) (2022)
Elena O. Levina, Maria G. Khrenova, Vladimir G. Tsirelson
The explicit role of electron exchange in the hydrogen bonded molecular complexes. J. Comput. Chem. 42 (12) (2021)
Maria G. Khrenova, Vladimir G. Tsirelson, Alexander V. Nemukhin
Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease. Supercomput. Front. Innov. 7 (3) (2020)
Vladimir G. Tsirelson
Early days of quantum crystallography: A personal account. J. Comput. Chem. 39 (17) (2018)
Ekaterina Bartashevich, Vladimir G. Tsirelson
A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds. J. Comput. Chem. 39 (10) (2018)
Mikhail V. Vener, A. N. Egorova, Andrei V. Churakov, Vladimir G. Tsirelson
Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions. J. Comput. Chem. 33 (29) (2012)