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Genetic algorithm: a new approach to the prediction of the structure of molecular clusters

✍ Scribed by Yongliang Xiao; Donald E. Williams

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
667 KB
Volume
215
Category
Article
ISSN
0009-2614

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✦ Synopsis

A new approach using a genetic algorithm is applied to predict structures of benzene, naphthalene, and anthracene molecular clusters. The computer program GAME (genetic algorithm for minimization of energy) has been developed to obtain the global energy minimum of clusters of dimer, trimer, and tetramer molecules.

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