Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5388001 | Chemical Physics Letters | 2008 | 5 Pages |
Abstract
Energy profile for the OÂ +Â HCNO reaction found using DFT-B3LYP/6-311G++(d,p) geometry optimization followed by single point energies at CCSD(T)/6-311G++(d,p) level of theory.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Wenhui Feng, John F. Hershberger,