MM3 parametrization of four- and five-coordinated rhenium complexes by a genetic algorithm--which factors influence the optimization performance?
Genetic algorithms (GA) were used to solve one of the multidimensional problems in computational chemistry, the optimization of force field parameters. The correlation between the composition of the GA, its parameters (p(c), p(m)) and the quality of the results were investigated. The composition was...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 23(2002), 2 vom: 30. Jan., Seite 282-90 |
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| Format: | Aufsatz |
| Sprache: | English |
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2002
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |