Sergei F. Vyboishchikov

Publication Activity (10 Years)

Years Active: 1997-2023
Publications (10 Years): 6

Top Topics

Energy Minimization

Positively Correlated

Iterative Optimization

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Sergei F. Vyboishchikov
A quick solvation energy estimator based on electronegativity equalization. J. Comput. Chem. 44 (3) (2023)
Sergei F. Vyboishchikov
Dense Neural Network for Calculating Solvation Free Energies from Electronegativity-Equalization Atomic Charges. J. Chem. Inf. Model. 63 (20) (2023)
Sergei F. Vyboishchikov, Alexander A. Voityuk
Fast non-iterative calculation of solvation energies for water and non-aqueous solvents. J. Comput. Chem. 42 (17) (2021)
Sergei F. Vyboishchikov, Alexander A. Voityuk
Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges. J. Chem. Inf. Model. 61 (9) (2021)
Sergei F. Vyboishchikov, Alexander A. Voityuk
Iterative Atomic Charge Partitioning of Valence Electron Density. J. Comput. Chem. 40 (7) (2019)
Sergei F. Vyboishchikov
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms. J. Comput. Chem. 37 (31) (2016)
Sergei F. Vyboishchikov
Modeling exact exchange potential in spherically confined atoms. J. Comput. Chem. 36 (27) (2015)
Sergei F. Vyboishchikov, Anibal Sierraalta, Gernot Frenking
Topological analysis of electron density distribution taken from a pseudopotential calculation. J. Comput. Chem. 18 (3) (1997)