2 papers
physics.chem-ph2026
Vibrational Circular Dichroism enhancement in conformationally flexible transition metal complexes
Mariia Sapova, Menno de Boer, Wybren Jan Buma +1
We extend our previously developed approach for calculating enhanced vibrational circular dichroism (VCD) spectra of transition-metal complexes to systems for which conformational…
physics.chem-ph2025
Quantitative agreement between experiment and theory for Vibrational Circular Dichroism enhanced by electronically excited states
Mariia Sapova, Chandan Kumar, Sahar Ashtari-Jafari +2
Intensity enhancement in vibrational circular dichroism (VCD) arises in open-shell transition metal complexes from coupling between ground-state vibrational transitions and magneti…