MMFF94 force field: Difference between revisions
Jump to navigation
Jump to search
m (MMFF94 moved to MMFF94 force field) |
mNo edit summary |
||
| Line 1: | Line 1: | ||
{{Stub-general}} | {{Stub-general}} | ||
The '''Merck molecular force field'''. | The '''Merck molecular force field'''. | ||
==Functional form== | |||
==Parameters== | |||
==References== | ==References== | ||
#[http://www3.interscience.wiley.com/cgi-bin/abstract/66044/ABSTRACT Thomas A. Halgren "Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94", Journal of Computational Chemistry '''17''' pp.490-519 (1996)] | #[http://www3.interscience.wiley.com/cgi-bin/abstract/66044/ABSTRACT Thomas A. Halgren "Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94", Journal of Computational Chemistry '''17''' pp.490-519 (1996)] | ||
Latest revision as of 13:59, 5 March 2010
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
The Merck molecular force field.
Functional form[edit]
Parameters[edit]
References[edit]
- Thomas A. Halgren "Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94", Journal of Computational Chemistry 17 pp.490-519 (1996)
- Thomas A. Halgren "Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions", Journal of Computational Chemistry 17 pp. 520 - 552 (1996)
- Thomas A. Halgren "Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94", Journal of Computational Chemistry 17 pp. 553 - 586 (1996)
- Thomas A. Halgren, Robert B. Nachbar "Merck molecular force field. IV. conformational energies and geometries for MMFF94", Journal of Computational Chemistry 17 pp. 587 - 615 (1996)
- Thomas A. Halgren "Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules", Journal of Computational Chemistry 17 pp. 616 - 641 (1996)