An aspect of molecular dynamics on the C
✍
Koichi Yamashita; Akitomo Tachibana; Tokio Yamabe; Kenichi Fukui
📂
Article
📅
1980
🏛
Elsevier Science
🌐
English
⚖ 324 KB
A new method for the gradient of the CI adiabatic potential using an exact analytical formula has been developed-Some dynamxal aspects of formaldehyde are investigated as a prehninary exampie of the application of this me&ad.