Andrey V Afonin

12PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryStructural properties of condensed matterTerahertz physicsBiologically active moleculesTheory and design of materials
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Publications (12)

|Apr 25, 2026
Quantification of Intramolecular (-) and (+) Charge-Assisted Hydrogen Bond Energy via Molecular Tailoring Approach: Ranking in Energy Scale.

|Jul 31, 2025
Electron Shells of Periodic Table Elements Visualized by Localized Orbital Locator: Analyzing the Atom's Structure and Properties.

Andrei V Afonin, Valentin A Semenov, Alexander V Vashchenko

|Jun 29, 2025
Extremely High RAHB Energies Quantified via a Molecular Tailoring Approach in Fused-Ring Tropolones and Their Effect on the Electronic Structure and Optical Properties.

Andrei V Afonin, Danuta Rusinska-Roszak, Alexander V Vashchenko

|Aug 15, 2024
Evidence for the O-H⋅⋅⋅O=C Resonance-Assisted Hydrogen Bond in Tropolones and Quantification of its σ- and π-Components Using Molecular Tailoring Approach.

Andrei V Afonin, Danuta Rusinska-Roszak

|Nov 22, 2022
Digitization of the electron shell via the localized orbital locator formalism: trends in the size and electronegativity changes of atoms across the periodic table.

Andrei V Afonin, Valentin A Semenov, Alexander V Vashchenko

|Jul 19, 2022
Molecular tailoring approach as tool for revealing resonance-assisted hydrogen bond: Case study of Z-pyrrolylenones with the NH⋯OС intramolecular hydrogen bond.

Andrei V Afonin, Danuta Rusinska-Roszak

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Frequent Collaborators

4 joint publications

Danuta Rusinska-Roszak

3 joint publications

Boris A Trofimov

3 joint publications

Valentin A Semenov

2 joint publications

Alexander V Vashchenko