Force constants for homonuclear molecules from model charge density
β Scribed by Katarzyna Tkacz; W.S. Ptak
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 572 KB
- Volume
- 275
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
The contribution of the harmonic intermolecular bending force field to the quartic centrifugal distortion constants of weakly bound dimers Al3 (where A is a symmetric-top molecule and B is a linear molecule) has been examined. Approximate formulae are derived that relate the force constant and the v
## Abstract A fluctuating charge (FQ) force field is applied to molecular dynamics simulations for six small proteins in explicit polarizable solvent represented by the TIP4PβFQ potential. The proteins include 1FSV, 1ENH, 1PGB, 1VII, 1H8K, and 1CRN, representing both helical and Ξ²βsheet secondary s