Article ID Journal Published Year Pages File Type
5379756 Chemical Physics Letters 2015 23 Pages PDF
Abstract

- Classical force field for amino acid ionic liquids was developed.
- Electrostatic potential was derived using electronic structure description of a neutral ion pair.
- The developed force field fosters numerical simulations of ionic liquids.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The force field for imidazolium-based ionic liquids: Novel anions with polar residues
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