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Recent Application of ab initio Calculations on Calixarenes and Calixarene Complexes

✍ Scribed by Juergen Schatz

Book ID
101965648
Publisher
John Wiley and Sons
Year
2004
Weight
10 KB
Volume
35
Category
Article
ISSN
0931-7597

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✦ Synopsis

Abstract

For Abstract see ChemInform Abstract in Full Text.

πŸ“œ SIMILAR VOLUMES

Ab initio calculations on halogen-bonded
Ab initio calculations on halogen-bonded complexes and comparison with density functional methods
✍ Yun-Xiang Lu; Jian-Wei Zou; Ji-Cai Fan; Wen-Na Zhao; Yong-Jun Jiang; Qing-Sen Yu πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 163 KB

## Abstract A systematic theoretical investigation on a series of dimeric complexes formed between some halocarbon molecules and electron donors has been carried out by employing both __ab initio__ and density functional methods. Full geometry optimizations are performed at the Moller–Plesset secon