Multicomponent DFT calculations reveal nuclear quantum effects on proton transfer in excited-state and ground-state reactions.
Nuclear quantum effects (NQEs) of hydrogen nuclei in both ground-state and excitedstate intramolecular proton transfer reactions are investigated by multicomponent DFT calculations, which can directly incorporate the NQEs.
No takes yet. Share an insight, caveat, or question.
Udagawa et al. (2025) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: