KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

By S. Canneaux, F. Bohr, E. Hénon. Journal of Computational Chemistry, 2014

793 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics

View Paper: https://www.semanticscholar.org/paper/2151eafb0b70180f7847374ec70d6cc5fefab55a