Local Electronic Charge Transfer in the Helical Induction of Cis-Transoid Poly(4-carboxyphenyl)acetylene by Chiral Amines. - Montserrat Penaloza-Amion; Celso R. C. Rêgo; Wolfgang Wenzel (J. Chem. Inf. Model., 2022)

How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites. - Luis Octavio de Araujo; Celso R. C. Rêgo; Wolfgang Wenzel; Danilo N. Silveira; Maurício J. Piotrowski; Fernando P. Sabino; Yohanes Pramudya; Diego Guedes-Sobrinho (J. Comput. Chem., 2023)

Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation. - João P. C. S. Felix; Krys E. A. Batista; Wesley O. Morais; Glaucio R. Nagurniak; Renato Pereira Orenha; Celso R. C. Rêgo; Diego Guedes-Sobrinho; Renato L. T. Parreira; Mateus Meneghetti Ferrer; Maurício J. Piotrowski (J. Comput. Chem., 2023)