| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389846 | Chemical Physics Letters | 2006 | 8 Pages |
Abstract
The global potential energy surface (PES) of the [CH3,N,C,S] system in singlet and triplet states, involving 16 isomers and 15 transition structures, is studied at DFT(B3LYP), MP2 and QCISD levels. The stability of these isomers, their isomerizations and dissociations are discussed and theoretical results are consistent with the available experimental ones.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Theoretical study of the global potential energy surface of the [CH3,N,C,S] system in singlet and triplet states](/preview/png/5389846.png "First Page Preview: Theoretical study of the global potential energy surface of the [CH3,N,C,S] system in singlet and triplet states")
Authors
Zhen Fu, Xiu-mei Pan, Ze-sheng Li, Chia-chung Sun, Rong-shun Wang,