Van der Waals surface graphs and molecular shape

DOI10.1023/A:1019137712057zbMATH Open0904.92036MaRDI QIDQ1265809FDOQ1265809

Authors: David C. Whitley 

Publication date: 27 September 1998

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

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zbMATH Keywords

Voronoi diagramvan der Waals shape graphvan der Waals surface graphs

Mathematics Subject Classification ID

Applications of graph theory (05C90) Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cited In (3)

• Wavelet BEM on molecular surfaces: solvent excluded surfaces
• Wavelet BEM on molecular surfaces: parametrization and implementation
• Triangulating the surface of a molecule

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