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Publications of Nicolás O. Foglia
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Journal Article (3)
2023
Journal Article
Foglia, N. O.; Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands. Journal of Chemical Theory and Computation 2023, 19, 6273–6293.
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Journal Article
Foglia, N.; ; 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.