Publikationen von Nicolás O. Foglia
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Zeitschriftenartikel (3)
2023
Zeitschriftenartikel
19 (18), S. 6273 - 6293 (2023)
Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands. Journal of Chemical Theory and Computation
Zeitschriftenartikel
158 (15), 154108 (2023)
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of Chemical Physics 2022
Zeitschriftenartikel
157 (8), 084120 (2022)
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