𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio molecular orbital study of the potential energy surface for the orthosilicate anion, [H3SiO4]−

✍ Scribed by Wagner B. De Almeida; Patrick J. O'Malley

Book ID
113257619
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
526 KB
Volume
258
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio molecular orbital study of
An ab initio molecular orbital study of the potential energy surface of the N2H → N2 + H system
✍ Larry A. Curtiss; David L. Drapcho; John A. Pople 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The NeH potentiaI energy surface has been examined by ab initio molncuiar orbital theory usin8 the 6-3 lG\*\* basis set with correlation enem ev&ated by MQIIer-Plesset perturbation theory to fourth order. The AE for N2H + N2 + H is -14.4 kcal mol-' and the barrier to dissociation is 10.5 kcal mol-r