Vibrational energy relaxation of interfacial OH on a water-covered α-Al2O3(0001) surface: a non-equilibrium ab initio molecular dynamics study

Phys. Chem. Chem. Phys., 2021,23,7714-7723 DOI: 10.1039/D0CP03777J, PaperGiacomo Melani, Yuki Nagata, Peter Saalfrank Vibrational dynamics and relaxation of excited non-hydrogen bonded OH-aluminols from non-equilibrium AIMD, towardsin silico time-resolved VSF experiments. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 8, 2021 Category: Chemistry Authors: Giacomo Melani Source Type: research