𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical Study of HCN and HNC Neutral and Charged Clusters

✍ Scribed by Sánchez, Marina; Provasi, Patricio F.; Aucar, Gustavo A.; Alkorta, Ibon; Elguero, Jose

Book ID
126046896
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
81 KB
Volume
109
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical study of the HCN ⇋ HNC iso
A theoretical study of the HCN ⇋ HNC isomerization and of the Cyano- and isocyanoborohydride ions
✍ R. Dorschner; G. Kaufmann 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 475 KB

## The ab initio LCAO-MO-SCF calculation has been used to investigate the HCN=HNC isomerization. It is shown that either intramolecular or intermolecular mechanisms are possible, although a different probability of realization can be expressed. The geometrical and electronic structures of both the c