An unrestricted approach for the accurate calculation of the interaction potentials of open-shell monomers: The case of O-2-O-2
Authors: Valentin-Rodriguez, Monica A.; Bartolomei, Massimiliano; Hernandez, Marta I.; Campos-Martinez, Jose; Hernandez-Lamoneda, Ramon Contribution: Article Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2020/05/14 DOI: 10.1063/5.0005171 Abstract: The properties of molecular oxygen including its condensed phases continue to be of great relevance for the scientific community. The richness and complexity of its associated properties stem from the [...]