Parallel Implementation of a Monte Carlo Molecular Simulation Program. - Alfredo Palace Carvalho; José A. N. F. Gomes; M. Natália Dias Soeiro Cordeiro (J. Chem. Inf. Comput. Sci., 2000)

Molecular Dynamics Simulation of HIV Fusion Inhibitor T-1249: Insights on Peptide-Lipid Interaction. - Antonio M. T. Martins do Canto; A. J. Palace Carvalho; João Paulo Prates Ramalho; Luís M. S. Loura (Comput. Math. Methods Medicine, 2012)

Switchable Nonlinear Optical Properties of η5-Monocyclopentadienylmetal Complexes: A DFT Approach. - Paulo J. Mendes; Tiago J. L. Silva; M. Helena Garcia; J. P. Prates Ramalho; A. J. Palace Carvalho (J. Chem. Inf. Model., 2012)

Remarkable shifts of Csp2-H and O-H stretching frequencies and stability of complexes of formic acid with formaldehydes and thioformaldehydes. - Tien Trung Nguyen; Pham Ngoc Khanh; A. J. Palace Carvalho; Minh Tho Nguyen (J. Comput. Chem., 2019)