Barriometry - an enhanced database of accurate barrier heights for gas-phase reactions

Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C7CP08045J, PaperBun Chan, John M. Simmie The kinetics of many reactions are critically dependent upon the barrier heights for which accurate determination can be difficult. More than 100 accurate barriers are obtained with the high-level W3X-L composite procedure. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - January 19, 2018 Category: Chemistry Authors: Bun Chan Source Type: research