Derivation of fluorine and hydrogen atom parameters using liquid simulations
- 1 October 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (8) , 963-970
- https://doi.org/10.1002/jcc.540130806
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- How transferable are hydrogen parameters in molecular mechanics calculations?Journal of Computational Chemistry, 1992
- An all atom force field for simulations of proteins and nucleic acidsJournal of Computational Chemistry, 1986
- Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amidesJournal of the American Chemical Society, 1985
- Optimized intermolecular potential functions for liquid hydrocarbonsJournal of the American Chemical Society, 1984
- An approach to computing electrostatic charges for moleculesJournal of Computational Chemistry, 1984
- A new force field for molecular mechanical simulation of nucleic acids and proteinsJournal of the American Chemical Society, 1984
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Nonadditive effects of polysubstitution in CH4 and CH3: a test of abinitio and semiempirical MO methodsCanadian Journal of Chemistry, 1983
- Structural effects on rates and equilibriums. XIX. Intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributionsThe Journal of Organic Chemistry, 1975
- Conformational analysis—CXTetrahedron, 1975