Publications of Nicolás O. Foglia

Semelak, J. A.; Zeida, A.; Foglia, N. O.; Estrin, D. A.: Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands. Journal of Chemical Theory and Computation 19 (18), pp. 6273 - 6293 (2023)

Foglia, N.; De Souza, B.; Maganas, D.; Neese, F.: Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of Chemical Physics 158 (15), 154108 (2023)

Foglia, N. O.; Maganas, D.; Neese, F.: Going beyond the electric-dipole approximation in the calculation of absorption and (magnetic) circular dichroism spectra including scalar relativistic and spin–orbit coupling effects. The Journal of Chemical Physics 157 (8), 084120 (2022)