Generating molecules with specific properties: acyclic hydrocarbons

zbMATH Open1100.92073MaRDI QIDQ3409955FDOQ3409955

Authors: Steven A. Alexander 

Publication date: 20 November 2006

Recommendations

• scientific article; zbMATH DE number 614365
• Constrained generation of molecular graphs
• An efficient algorithm for the generation of planar polycyclic hydrocarbons with a given boundary
• scientific article; zbMATH DE number 614364
• scientific article; zbMATH DE number 6863607

zbMATH Keywords

Monte Carlo algorithmchemical softwarecomputer generation of molecules

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)

Cited In (1)

• The factorization of buckminsterfullerene into cyclocarbon components

This page was built for publication: Generating molecules with specific properties: acyclic hydrocarbons

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3409955)