| Improving approximate determination of the noninteracting electronic kinetic energy density from electron density AA Astakhov, AI Stash, VG Tsirelson International Journal of Quantum Chemistry 116 (3), 237-246, 2016 | 31 | 2016 |
| Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis MV Vener, EO Levina, AA Astakhov, VG Tsirelson Chemical Physics Letters 638, 233-236, 2015 | 24 | 2015 |
| Spatial localization of electron pairs in molecules using the fisher information density AA Astakhov, VG Tsirelson Chemical Physics 435, 49-56, 2014 | 23 | 2014 |
| Revealing electronic features governing hydrolysis of cephalosporins in the active site of the L1 metallo-β-lactamase EO Levina, MG Khrenova, AA Astakhov, VG Tsirelson RSC advances 10 (15), 8664-8676, 2020 | 11 | 2020 |
| Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM … RN Devi, MG Khrenova, S Israel, C Anzline, AA Astakhov, VG Tsirelson Journal of Molecular Modeling 23, 1-11, 2017 | 9 | 2017 |
| Spatially resolved characterization of electron localization and delocalization in molecules: Extending the Kohn‐Resta approach AA Astakhov, VG Tsirelson International Journal of Quantum Chemistry 118 (14), e25600, 2018 | 8 | 2018 |
| Keto‐enol tautomerism from the electron delocalization perspective EO Levina, MG Khrenova, AA Astakhov, VG Tsirelson Journal of Computational Chemistry 43 (15), 1000-1010, 2022 | 7 | 2022 |
Vladimir TsirelsonMendeleev University, Quantum Chemistry DepartmentVerified email at muctr.ru
