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AN AB INITIO STUDY OF INTERMOLECULAR INTERACTION OF HYDROGEN FLUORIDE TETRAMER

✍ Scribed by LI, JINSHAN

Book ID
120511002
Publisher
World Scientific Publishing Company
Year
2006
Tongue
English
Weight
195 KB
Volume
05
Category
Article
ISSN
0219-6336

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πŸ“œ SIMILAR VOLUMES

An ab initio study of intermolecular int
An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer
✍ Jinshan Li; Feng Zhao; Fuqian Jing πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 205 KB

## Abstract Different geometries of nitromethane dimer and nitromethane trimer have been fully optimized employing the density functional theory B3LYP method and the 6‐31++G\*\* basis set. Three‐body interaction energy has been obtained with the __ab initio__ supermolecular approach at the levels o