2018
An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials.
The Journal of Chemical Physics 149, 114108 (2018);
https://doi.org/10.1063/1.5048688
Avijit Sen, Bernardo de Souza, Lee M. J. Huntington, Martin Krupicka, Frank Neese and Robert Izsák
On the theoretical prediction of fluorescence rates from first principles using the path integral approach.
The Journal of Chemical Physics 148, 034104 (2018); https://doi.org/10.1063/1.5010895
Bernardo de Souza, Frank Neese, and Róbert Izsák
2017
Photocurrent response enhanced by spin-orbit coupling on ruthenium(II) complexes with heavy atom ligands
Dyes and Pigments 140, 346 (2017); https://doi.org/10.1016/j.dyepig.2017.01.059
Cristian A. M. Salla, Hugo C. Braga, Renata da S. Heying, Jefferson S. Martins, Welber G. Quirino, Cristiano Legnani, Bernardo de Souza, Adailton J. Bortoluzzi, Hugo Gallardo, Juliana Eccher and Ivan H. Bechtold
Synthesis, photophysical properties and spectroelectrochemical characterization of 10-(4-methyl-bipyridyl)-5,15-(pentafluorophenyl)corrole.
Journal of Photochemistry and Photobiology A: Chemistry 332, 306 (2017); https://doi.org/10.1016/j.jphotochem.2016.09.008
Rhannanda C. Pivetta, Bruna L. Auras, Bernardo de Souza, Ademir Neves, Fábio S. Nunes, Leandro H. Z. Cocca, Leonardo De Boni and Bernardo A. Iglesias
Journal of Photochemistry and Photobiology A: Chemistry 332, 306 (2017); https://doi.org/10.1016/j.jphotochem.2016.09.008
Rhannanda C. Pivetta, Bruna L. Auras, Bernardo de Souza, Ademir Neves, Fábio S. Nunes, Leandro H. Z. Cocca, Leonardo De Boni and Bernardo A. Iglesias
2015
The effect of spin–orbit coupling on selenadiazolo- and thiadiazolo- fused 1,10-phenanthrolines.
Dyes and Pigments 117, 149 (2017); https://doi.org/10.1016/j.dyepig.2015.02.012
Hugo C. Braga, Cristian A. M. Salla, Ivan H. Bechtold, Adailton J. Bortoluzzi, Bernardo de Souza and Hugo Gallardo