Relativistic (SR-ZORA) quantum theory of atoms in molecules properties. - James S. M. Anderson; Juan I. Rodríguez; Paul W. Ayers; Andreas W. Götz (J. Comput. Chem., 2017)

The general setting for the zero-flux condition: The lagrangian and zero-flux conditions that give the heisenberg equation of motion. - James S. M. Anderson; Paul W. Ayers (J. Comput. Chem., 2018)

A reference-free stockholder partitioning method based on the force on electrons. - Stijn Fias; Farnaz Heidar-Zadeh; James S. M. Anderson; Paul W. Ayers; Robert G. Parr (J. Comput. Chem., 2018)

An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions. - Alireza Tehrani; James S. M. Anderson; Debajit Chakraborty; Juan I. Rodriguez-Hernandez; David C. Thompson 002; Toon Verstraelen; Paul W. Ayers; Farnaz Heidar-Zadeh (J. Comput. Chem., 2023)

Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity indicator. - Yoshio Barrera; James S. M. Anderson (J. Comput. Chem., 2024)