Vibrational signature of a single water molecule adsorbed on Pt(111): toward a reliable anharmonic description
(2015)
Journal Article
Benoit, D. M. (2015). Vibrational signature of a single water molecule adsorbed on Pt(111): toward a reliable anharmonic description. The journal of physical chemistry. A, 119(47), 11583-11590. https://doi.org/10.1021/acs.jpca.5b08543
In this study, we present a thorough benchmarking of our direct anharmonic vibrational variation-perturbation approach for adsorbed molecules on surfaces. We then use our method to describe the vibrational structure of a water molecule adsorbed on a... Read More about Vibrational signature of a single water molecule adsorbed on Pt(111): toward a reliable anharmonic description.