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A Force Field for Molecular Simulation of Tetrabutylphosphonium Amino Acid Ionic Liquids

✍ Scribed by Zhou, Guohui; Liu, Xiaomin; Zhang, Suojiang; Yu, Guangren; He, Hongyan

Book ID
124159285
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
124 KB
Volume
111
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES

Molecular mechanics force-field developm
Molecular mechanics force-field development for amino acid zwitterions
✍ K. N. Kirschner; A. H. Lewin; J. P. Bowen πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 279 KB

## Abstract Understanding the conformational flexibility of amino acid zwitterions (ZWs) and their associated conformational energies is crucial for predicting their interactions in biological systems. Gas‐phase __ab initio__ calculations of ZWs are intractable. Molecular mechanics (MM), on the oth