An improved force field (MM4) for saturated hydrocarbons
- 1 April 1996
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 17 (5-6), 642-668
- https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u
Abstract
No abstract availableKeywords
This publication has 49 references indexed in Scilit:
- Derivation of Class II Force Fields. 2. Derivation and Characterization of a Class II Force Field, CFF93, for the Alkyl Functional Group and Alkane MoleculesJournal of the American Chemical Society, 1994
- Molecular mechanics. The MM3 force field for hydrocarbons. 1Journal of the American Chemical Society, 1989
- A molecular mechanics treatment of the anomeric effectJournal of Computational Chemistry, 1984
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977
- Representations of molecular force fields. 3. Gauche conformational energyJournal of the American Chemical Society, 1977
- Calculation of molecular properties using force fields. Applications in organic chemistryPublished by Springer Nature ,1976
- Critical evaluation of molecular mechanicsJournal of the American Chemical Society, 1973
- Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane MoleculesThe Journal of Chemical Physics, 1968
- Conformational analysis. LX. Improved calculations of the structures and energies of hydrocarbons by the Westheimer methodJournal of the American Chemical Society, 1968
- Conformational analysis. LVII. The calculation of the conformational structures of hydrocarbons by the Westheimer-Hendrickson-Wiberg methodJournal of the American Chemical Society, 1967