Topological analysis of electron density distribution taken from a pseudopotential calculation. - Sergei F. Vyboishchikov; Anibal Sierraalta; Gernot Frenking (J. Comput. Chem., 1997)

Modeling exact exchange potential in spherically confined atoms. - Sergei F. Vyboishchikov (J. Comput. Chem., 2015)

Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms. - Sergei F. Vyboishchikov (J. Comput. Chem., 2016)

Iterative Atomic Charge Partitioning of Valence Electron Density. - Sergei F. Vyboishchikov; Alexander A. Voityuk (J. Comput. Chem., 2019)

Fast non-iterative calculation of solvation energies for water and non-aqueous solvents. - Sergei F. Vyboishchikov; Alexander A. Voityuk (J. Comput. Chem., 2021)

Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges. - Sergei F. Vyboishchikov; Alexander A. Voityuk (J. Chem. Inf. Model., 2021)

A quick solvation energy estimator based on electronegativity equalization. - Sergei F. Vyboishchikov (J. Comput. Chem., 2023)

Dense Neural Network for Calculating Solvation Free Energies from Electronegativity-Equalization Atomic Charges. - Sergei F. Vyboishchikov (J. Chem. Inf. Model., 2023)

Atomic Neural Network for Calculation of Solvation Free Energies in Organic Solvents. - Sergei F. Vyboishchikov (J. Comput. Chem., 2025)