Optimization of transition state structures using genetic algorithms

DOI10.1023/A:1011047105928MaRDI QIDQ5934341zbMATH OpenOpenAlexFDO

Authors Sharene D. Bungay, Raymond A. Poirier, Richard J. Charron

Publication date 19 June 2001

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1023/a:1011047105928

zbMATH Keywords

fitness valuegenetic algorithmsoptimizationtransition state structures

Mathematics Subject Classification ID

Search theory (90B40) Applications of mathematical programming (90C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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