Enumeration and 3D representation of the stereo-isomers of alkane molecules

DOI10.1016/j.jsc.2004.04.009zbMath1129.92071OpenAlexW1983038754MaRDI QIDQ2456599

Paul-Valère Marchand, Nik Lygeros, Marc Massot

Publication date: 19 October 2007

Published in: Journal of Symbolic Computation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jsc.2004.04.009

zbMATH Keywords

computer algebraalkane moleculesChemical enumerationstereo-isomers

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Applications of graph theory (05C90) Enumerative combinatorics (05A99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics

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• Multi-fluid modelling of laminar polydisperse spray flames: origin, assumptions and comparison of sectional and sampling methods

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