科研之友
微信
新浪微博
Facebook
分享链接
摘要
Six product channels have been found in the association reaction of CN + CH2CO, and a variety of possible complexes and saddle points along the minimum energy reaction paths have been characterized at the UMP2(full)/6-31G(d) level. The dominant reaction channels are the production of CH2CN + CO and CH2NC + CO. The isomerization and dissociation reactions of the major products of CH2CN and CH2NC have been investigated using the G2MP2 level.
- 出版日期2006-4-5
- 单位江苏师范大学
