Sergei F. Vyboishchikov

According to our database, Sergei F. Vyboishchikov authored at least 8 papers between 1997 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Dense Neural Network for Calculating Solvation Free Energies from Electronegativity-Equalization Atomic Charges.

Sergei F. Vyboishchikov

J. Chem. Inf. Model., October, 2023

A quick solvation energy estimator based on electronegativity equalization.

Sergei F. Vyboishchikov

J. Comput. Chem., January, 2023

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

Fast non-iterative calculation of solvation energies for water and non-aqueous solvents.

Sergei F. Vyboishchikov, Alexander A. Voityuk

J. Comput. Chem., 2021

2019

Iterative Atomic Charge Partitioning of Valence Electron Density.

Sergei F. Vyboishchikov, Alexander A. Voityuk

J. Comput. Chem., 2019

2016

Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.

Sergei F. Vyboishchikov

J. Comput. Chem., 2016

2015

Modeling exact exchange potential in spherically confined atoms.

Sergei F. Vyboishchikov

J. Comput. Chem., 2015

1997

Topological analysis of electron density distribution taken from a pseudopotential calculation.

Sergei F. Vyboishchikov, Anibal Sierraalta, Gernot Frenking

J. Comput. Chem., 1997