Optimization of transition state structures using genetic algorithms

DOI10.1023/A:1011047105928zbMath1020.92032OpenAlexW1560067294MaRDI QIDQ5934341

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

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

optimizationgenetic algorithmsfitness valuetransition state structures

Mathematics Subject Classification ID

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

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