Vladimir G Tsirelson

Affiliations

Mendeleev University of Chemical Technology of Russia, Moscow, Russia.

ORCID: https://orcid.org/0000-0002-8610-9116

Publications (11)

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

Journal of computational chemistry

Avec: Elena O Levina , Maria G Khrenova ,

Revealing electronic features governing hydrolysis of cephalosporins in the active site of the L1 metallo-β-lactamase.

RSC advances

Avec: Elena O Levina , Maria G Khrenova , Andrey A Astakhov ,

Keto-enol tautomerism from the electron delocalization perspective.

Journal of computational chemistry

Avec: Elena O Levina , Maria G Khrenova , Andrey A Astakhov ,

Elastic and piezoelectric properties of β-glycine - a quantum crystallography view on intermolecular interactions and a high-pressure phase transition.

Acta crystallographica Section B, Structural science, crystal engineering and materials

Avec: Mark A Khainovsky , Elena V Boldyreva ,

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

Journal of computational chemistry

Avec: Elena O Levina ,

Quantum pressure focusing in solids: a reconstruction from experimental electron density.

Acta crystallographica Section B, Structural science, crystal engineering and materials

Avec: Adam I Stash , Ilya V Tokatly

Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptors.

Physical chemistry chemical physics : PCCP

Avec: Maria G Khrenova , Alexander V Nemukhin

Orbital-Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π⋅⋅⋅π and Reverse Electron Lone Pair⋅⋅⋅π Interactions.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Sergey A Shteingolts , Adam I Stash , Robert R Fayzullin

Real-Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Sergey A Shteingolts , Adam I Stash , Robert R Fayzullin

Can We Merge the Weak and Strong Tetrel Bonds? Electronic Features of Tetrahedral Molecules Interacted with Halide Anions.

Molecules (Basel, Switzerland)

Avec: Ekaterina V Bartashevich , Svetlana E Mukhitdinova , Iliya V Klyuev ,

Electron delocalization in defect-containing graphene and its influence on tetrel bond formation.

Physical chemistry chemical physics : PCCP

Avec: Ekaterina V Bartashevich , Elena O Levina , Irina D Yushina , Sergey A Sozykin ,

Réseau de co-auteurs

Elena O Levina 5 collaborations

Maria G Khrenova 4 collaborations

Adam I Stash 3 collaborations

Andrey A Astakhov 2 collaborations

Sergey A Shteingolts 2 collaborations

Robert R Fayzullin 2 collaborations

Ekaterina V Bartashevich 2 collaborations

Mark A Khainovsky 1 collaboration

Elena V Boldyreva 1 collaboration

Ilya V Tokatly 1 collaboration

Alexander V Nemukhin 1 collaboration

Svetlana E Mukhitdinova 1 collaboration

Iliya V Klyuev 1 collaboration

Irina D Yushina 1 collaboration

Sergey A Sozykin 1 collaboration