Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping. - Luan G. F. dos Santos; Julio C. V. Chagas; Luiz F. A. Ferrão; Adélia J. A. Aquino; Reed Nieman; Hans Lischka; Francisco B. C. Machado (J. Comput. Chem., 2025)

Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. - Luan G. F. dos Santos; Benjamin T. Nebgen; Alice E. A. Allen; Brenden W. Hamilton; Sakib Matin; Justin S. Smith; Richard A. Messerly (J. Chem. Inf. Model., 2025)