Giacomo Botti

Dec 10, 2024 | pubs.rsc.org | Riccardo Conte |Dipartimento di Chimica |Giacomo Mandelli |Giacomo Botti

Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems In this perspective we deal with the challenge of investigating nuclear quantum effects in solvated and condensed phase molecular systems in a computationally affordable way. To this end, semiclassical methods are promising theoretical approaches, as we demonstrate through vibrational spectroscopy and reaction kinetics.

Dec 3, 2024 | pubs.rsc.org | Riccardo Conte |Dipartimento di Chimica |Giacomo Mandelli |Giacomo Botti

Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems In this perspective we deal with the challenge of investigating nuclear quantum effects in solvated and condensed phase molecular systems in a computationally affordable way. To this end, semiclassical methods are promising theoretical approaches, as we demonstrate through vibrational spectroscopy and reaction kinetics.