Publications of Nicolás O. Foglia

Journal Article (3)

2023
Journal Article
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 2023, 19, 6273–6293.
Journal Article
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 2023, 158, 154108.
2022
Journal Article
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 2022, 157, 084120.
Go to Editor View