Quantum computations in heavy noble-gas hydride cations: Reference energies and new spectroscopic data

2023-11-30T17:19:28+01:00Tags: , |

Authors: de Oca-Estevez, Maria Judit Montes; Prosmiti, Rita Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING Publication date: 2023/11/01 DOI: 10.1016/j.jmgm.2023.108562 Abstract: Computational quantum chemistry has become a powerful tool with a wide range of possibilities to solve chemical-physical problems. As a result of this, the interest in the applications of computational quantum chemistry has expanded [...]