MM3 force field
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MM3 force field [1] [2] [3]
Functional form[edit]
Parameters[edit]
See also[edit]
References[edit]
- ↑ Norman L. Allinger, Young H. Yuh, and Jenn Huei Lii "Molecular mechanics. The MM3 force field for hydrocarbons. 1", Journal of the American Chemical Society 111 pp 8551-8566 (1989)
- ↑ Jenn Huei Lii and Norman L. Allinger "Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics", Journal of the American Chemical Society 111 pp 8566-8575 (1989)
- ↑ Jenn Huei Lii and Norman L. Allinger "Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons", Journal of the American Chemical Society 111 pp 8576-8582 (1989)
Related reading