| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5388219 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
Energy diagrams (in kcal/mol) for the CH3NO2 decomposition, computed at the UCCSD(T)/CBS level. The values for CH3NO2 and TS1 in the parenthesis were calculated at the CASPT3(8,8)/6-311+G(3df,2p)//CASSCF(8,8)/6-311+G(d) level.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
R.S. Zhu, M.C. Lin,