MMFF94 force field - Revision history

Nice and Tidy at 12:59, 5 March 2010

2010-03-05T12:59:17Z

← Older revision		Revision as of 14:59, 5 March 2010
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	{{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)]

Nice and Tidy: MMFF94 moved to MMFF94 force field

2010-03-05T12:58:55Z

MMFF94 moved to MMFF94 force field

← Older revision	Revision as of 14:58, 5 March 2010
(No difference)

Nice and Tidy at 13:19, 15 October 2007

2007-10-15T13:19:21Z

← Older revision		Revision as of 15:19, 15 October 2007
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			{{Stub-general}}
	The '''Merck molecular force field'''.		The '''Merck molecular force field'''.
	==References==		==References==

Carl McBride at 14:10, 29 March 2007

2007-03-29T14:10:14Z

← Older revision		Revision as of 16:10, 29 March 2007
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			The '''Merck molecular force field'''.
	==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)]

Carl McBride at 11:58, 19 March 2007

2007-03-19T11:58:24Z

← Older revision		Revision as of 13:58, 19 March 2007
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	==References==		==References==
	#[http://dx.~~doi~~.~~org~~/ Journal of Computational Chemistry '''17''' pp. (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)]
			#[http://www3.interscience.wiley.com/cgi-bin/abstract/66046/ABSTRACT 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)]
			#[http://www3.interscience.wiley.com/cgi-bin/abstract/66047/ABSTRACT Thomas A. Halgren "Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94", Journal of Computational Chemistry '''17''' pp. 553 - 586 (1996)]
			#[http://www3.interscience.wiley.com/cgi-bin/abstract/66048/ABSTRACT 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)]
			#[http://www3.interscience.wiley.com/cgi-bin/abstract/66049/ABSTRACT 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)]
	[[category:force fields]]		[[category:force fields]]

Carl McBride: New page: ==References== #[http://dx.doi.org/ Journal of Computational Chemistry '''17''' pp. (1996)] category:force fields

2007-03-19T11:34:49Z

New page: ==References== #[http://dx.doi.org/ Journal of Computational Chemistry '''17''' pp. (1996)] category:force fields

New page

==References==
#[http://dx.doi.org/ Journal of Computational Chemistry '''17''' pp. (1996)]
[[category:force fields]]