In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase - Cytochrome c. - Frank H. Wallrapp; Alexander A. Voityuk; Victor Guallar (PLoS Comput. Biol., 2013)

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate. - Juan Pablo Martínez 002; Miquel Solà; Alexander A. Voityuk (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)