CASSCF and multireference CI with singles and doubles study of low-lying valence and Rydberg states of 2H-tetrazole. - Miguel Angelo Fonseca de Souza; Elizete Ventura; Regiane C. M. U. Araújo; Mozart N. Ramos; Silmar Andrade do Monte (J. Comput. Chem., 2009)

Effect of methylation on relative energies of tautomers and on the intramolecular proton transfer barriers of protonated nitrosamine: A MR-CISD study. - Railton Barbosa de Andrade; Ezequiel Fragoso Vieira Leitão; Miguel Angelo Fonseca de Souza; Elizete Ventura; Silmar Andrade do Monte (J. Comput. Chem., 2015)

UV-photoexcitation and ultrafast dynamics of HCFC-132b (CF2ClCH2Cl). - Gessenildo Pereira Rodrigues; Elizete Ventura; Silmar Andrade do Monte; Mario Barbatti (J. Comput. Chem., 2016)

Revisiting the concept of the (a)synchronicity of diels-alder reactions based on the dynamics of quasiclassical trajectories. - Miguel Angelo Fonseca de Souza; Elizete Ventura; Silmar Andrade do Monte; José M. Riveros; Ricardo L. Longo (J. Comput. Chem., 2016)

Photodissociation and formation of an ion-pair in CH2FCl (HCFC-31). - Albert J. F. W. H. de S. Silva; Gessenildo Pereira Rodrigues; Elizete Ventura; Silmar Andrade do Monte (J. Comput. Chem., 2024)

Infrared Spectrum and UV-Triggered Transformations of Matrix-Isolated Meta-Fluorothiophenol Supported by Ground and Excited State Theoretical Calculations. - Adelaide Jesus; J. R. Lucena Jr.; G. P. Rodrigues; G. Ogruc Ildiz; Silmar Andrade do Monte; E. Ventura; R. Fausto (J. Comput. Chem., 2025)

A Genuine Hydrocarbon Ion Pair More Stable Than Its Covalent Counterpart. A Computational Study. - Rodolpho L. R. Alves; Ezequiel Fragoso Vieira Leitão; E. Ventura; Silmar Andrade do Monte (J. Comput. Chem., 2025)