First-Principles Spectroscopy of Aqueous Interfaces using Machine-Learned Electronic and Quantum Nuclear Effects

This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Venkat Kapil, David Peter Kovacs, G ábor Csányi, Angelos Michaelides Vibrational spectroscopy is critical to understanding the structure and dynamics of interfacial water, which plays a key role in natural and technologically-relevant phenomena. However, interpreting the vibrational spectra of complex... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Faraday Discuss. latest articles - July 21, 2023 Category: Chemistry Authors: Venkat Kapil Source Type: research