Generating molecules with specific properties: acyclic hydrocarbons

MaRDI QIDQ3409955zbMATH OpenFDO

Authors Steven A. Alexander

Publication date 20 November 2006

zbMATH Keywords

chemical softwarecomputer generation of moleculesMonte Carlo algorithm

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Software, source code, etc. for problems pertaining to biology (92-04) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(2)

• The factorization of buckminsterfullerene into cyclocarbon components
• Generating molecules with specific boiling points and melting points

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