Vladimir G. Tsirelson

According to our database, Vladimir G. Tsirelson authored at least 7 papers between 2012 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of six.

2023

DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals.

Elena O. Levina, Vladimir G. Tsirelson

J. Comput. Chem., 2023

2022

Keto-enol tautomerism from the electron delocalization perspective.

Elena O. Levina, Maria G. Khrenova, Andrey A. Astakhov, Vladimir G. Tsirelson

J. Comput. Chem., 2022

2021

The explicit role of electron exchange in the hydrogen bonded molecular complexes.

Elena O. Levina, Maria G. Khrenova, Vladimir G. Tsirelson

J. Comput. Chem., 2021

2020

Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease.

Maria G. Khrenova, Vladimir G. Tsirelson, Alexander V. Nemukhin

Supercomput. Front. Innov., 2020

2018

Early days of quantum crystallography: A personal account.

Vladimir G. Tsirelson

J. Comput. Chem., 2018

A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds.

Ekaterina Bartashevich, Vladimir G. Tsirelson

J. Comput. Chem., 2018

2012

Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions.

Mikhail V. Vener, A. N. Egorova, Andrei V. Churakov, Vladimir G. Tsirelson

J. Comput. Chem., 2012