Computation of the effective volumes of covalently bonded molecules

DOI10.1023/A:1022953522480zbMath1017.92045OpenAlexW111615365MaRDI QIDQ1397317

David P. White, P. H. Matabal, T. A. Ford, Peter G. L. Leach

Publication date: 27 July 2003

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

Full work available at URL: https://doi.org/10.1023/a:1022953522480

zbMATH Keywords

enumeration of overlap classes

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Uses Software

• Mathematica

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