A G1 ab initio MO study of the distonic
✍
A. Luna; O. Mó; M. Yáñez
📂
Article
📅
1992
🏛
Elsevier Science
🌐
English
⚖ 398 KB
Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than