Comparison of the Amber, Charmm, Compass, Gromos, OPLS-aa, and TraPPE-UA force fields for the prediction of liquid densities and vapor-liquid coexistence for small organic molecules.
Journal Article
·
· Proposed for publication in J. Phys. Chem. B.
OSTI ID:920779
No abstract prepared.
- Research Organization:
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 920779
- Report Number(s):
- SAND2003-1224J; TRN: US200805%%144
- Journal Information:
- Proposed for publication in J. Phys. Chem. B., Journal Name: Proposed for publication in J. Phys. Chem. B.
- Country of Publication:
- United States
- Language:
- English
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