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 2023, 19, 6273–6293.

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.

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.