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Dynamical fluctuating charge force fields: The aquaeous solvation of amides.
- Source :
-
Journal of the American Chemical Society . 1/24/96, Vol. 118 Issue 3, p672. 8p. 5 Charts, 2 Graphs. - Publication Year :
- 1996
-
Abstract
- Examines the fluctuating charge (FQ) force field, a polarizable potential model in which point charges on atomic sites fluctuate in response to the environment. Result when aqueous solvation of acetamide and trans- and cis-N-methylacetamide (NMA) is applied; Dynamical fluctuating charge models; Free energy calculations.
- Subjects :
- *FLUCTUATIONS (Physics)
Subjects
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 118
- Issue :
- 3
- Database :
- Academic Search Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- 9603085892
- Full Text :
- https://doi.org/10.1021/ja952535b