Modular chemical geometry and symbolic calculation

DOI10.1002/qua.20807zbMath1188.92042OpenAlexW2122114908WikidataQ56060154 ScholiaQ56060154MaRDI QIDQ3566851

Joseph F. Capitani, Michael P. Barnett

Publication date: 10 June 2010

Published in: International Journal of Quantum Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/qua.20807

zbMATH Keywords

symbolic calculationcomputational geometrystereochemistrypuckering \(4\)- and \(5\)-membered ring molecules

Mathematics Subject Classification ID

Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Software, source code, etc. for problems pertaining to biology (92-04)

Related Items (2)

Mathscape and molecular integrals ⋮ The \texttt{MATHSCOUT} Mathematica package to postprocess the output of other scientific programs

Uses Software

• Mathematica
• GAUSSIAN

Cites Work

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