Optimization and analysis of force field parameters by combination of genetic algorithms and neural networks

In search of a force field description for tripod metal templates, tripodM [tripod=RC(CH2X)(CH2Y)(CH2Z); X, Y, Z=PR′R″] force field parameters, p, were optimized by the use of genetic algorithms (GA) with...

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Bibliographische Detailangaben
Hauptverfasser: Hunger, Jens (VerfasserIn) , Huttner, Gottfried (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 8 February 1999
In: Journal of computational chemistry
Year: 1999, Jahrgang: 20, Heft: 4, Pages: 455-471
ISSN:1096-987X
DOI:10.1002/(SICI)1096-987X(199903)20:4<455::AID-JCC6>3.0.CO;2-1
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1002/(SICI)1096-987X(199903)20:4<455::AID-JCC6>3.0.CO;2-1
Verlag, Volltext: http://onlinelibrary.wiley.com/doi/10.1002/(SICI)1096-987X(199903)20:4<455::AID-JCC6>3.0.CO;2-1/full
Volltext
Verfasserangaben:J. Hunger, G. Huttner
Beschreibung
Zusammenfassung:In search of a force field description for tripod metal templates, tripodM [tripod=RC(CH2X)(CH2Y)(CH2Z); X, Y, Z=PR′R″] force field parameters, p, were optimized by the use of genetic algorithms (GA) with...
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Beschreibung:Online Resource
ISSN:1096-987X
DOI:10.1002/(SICI)1096-987X(199903)20:4<455::AID-JCC6>3.0.CO;2-1