MM3 force field: Difference between revisions
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'''MM3''' [[force fields | force field]]. | '''MM3''' [[force fields | force field]] <ref>[http://dx.doi.org/10.1021/ja00205a001 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)]</ref> | ||
<ref>[http://dx.doi.org/10.1021/ja00205a002 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)]</ref> | |||
<ref>[http://dx.doi.org/10.1021/ja00205a003 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)]</ref> | |||
==Functional form== | ==Functional form== | ||
==Parameters== | ==Parameters== | ||
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*[[MM4]] | *[[MM4]] | ||
==References== | ==References== | ||
<references/> | |||
'''Related reading''' | |||
*[http://dx.doi.org/10.1016/S0166-1280(09)80008-0 Norman L. Allinger, Xuefeng Zhou and John Bergsma "Molecular mechanics parameters", Journal of Molecular Structure: THEOCHEM '''312''' pp. 69-83 (1994)] | |||
[[category:force fields]] | [[category:force fields]] | ||
Latest revision as of 14:28, 21 May 2010
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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