MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows. - Pavlo O. Dral; Fuchun Ge; Yi-Fan Hou; Peikun Zheng; Yuxinxin Chen; Mario Barbatti; Olexandr Isayev; Cheng Wang; Bao-Xin Xue; Max Pinheiro Jr; Yuming Su; Yiheng Dai; et al. (CoRR, 2023)

Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7. - Bruno D. Milanez; Gustavo M. dos Santos; Max Pinheiro Jr; Leonardo T. Ueno; Luiz F. A. Ferrão; Adélia J. A. Aquino; Hans Lischka; Francisco B. C. Machado (J. Comput. Chem., 2023)

A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. - Julio C. V. Chagas; Bruno D. Milanez; Vytor P. Oliveira; Max Pinheiro Jr; Luiz F. A. Ferrão; Adélia J. A. Aquino; Hans Lischka; Francisco B. C. Machado (J. Comput. Chem., 2024)