Elena O Levina

6PUBLICATIONS
7CO-AUTHORS
Nonlinear optics and spectroscopyAtomic and molecular physicsCrystallographyCheminformatics and quantitative structure-activity relationshipsSurface properties of condensed matter
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Publications (6)

|Mar 26, 2025
Going beyond the Computational Tool: Fermi Potential from DFT as an Electron (De)Localization Descriptor for Correlated Wave Functions.

Elena O Levina, Vladimir G Tsirelson

|May 15, 2023
DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals.

Elena O Levina, Vladimir G Tsirelson

|May 06, 2022
Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals.

Elena O Levina, Ivan Y Chernyshov, Alexander P Voronin

|May 02, 2022
Revealing electronic features governing hydrolysis of cephalosporins in the active site of the L1 metallo-β-lactamase.

Elena O Levina, Maria G Khrenova, Andrey A Astakhov

|Apr 12, 2022
Keto-enol tautomerism from the electron delocalization perspective.

Elena O Levina, Maria G Khrenova, Andrey A Astakhov

|Mar 06, 2021
The explicit role of electron exchange in the hydrogen bonded molecular complexes.

Elena O Levina, Maria G Khrenova, Vladimir G Tsirelson

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Frequent Collaborators

4 joint publications

Vladimir G Tsirelson

3 joint publications

Maria G Khrenova

1 joint publications

Ivan Y Chernyshov

1 joint publications

Alexander P Voronin