https://www.selleckchem.com/pr....oducts/2-hydroxybenz
Our results pave the way for designing a general strategy for training such neural-network models for accurate prediction.Molecular scattering at solid surfaces has been a sensitive probe of the molecule-surface interaction. Existing theoretical studies have primarily focused on diatomic molecules scattering from metal surfaces. Here, we investigate the vibrational state-to-state scattering dynamics of H2O/HOD from Cu(111) by a fully coupled six-dimensional quantum dynamical model based on a first-principles determined pote
Curtir
Comentario
Compartilhar
