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ORCIDVladimir G. Tsirelson
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Journal Articles
- 2023
[j7]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): 1817-1835 (2023)- 2022
- [j6]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): 1000-1010 (2022) - 2021
- [j5]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): 870-882 (2021) - 2020
- [j4]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) - 2018
- [j3]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): 573-580 (2018) - [j2]Vladimir G. Tsirelson:
Early days of quantum crystallography: A personal account. J. Comput. Chem. 39(17): 1029-1037 (2018) - 2012
- [j1]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): 2303-2309 (2012)
Coauthor Index
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