Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine

por Aieta, Chiara, Micciarelli, Marco, Bertaina, Gianluca, Ceotto, Michele
Publicado 2020

Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption

por Cazzaniga, Marco, Micciarelli, Marco, Gabas, Fabio, Finocchi, Fabio, Ceotto, Michele
Publicado 2022