Symbolic computation engines and molecular modeling templates: \texttt{Maple}-assisted point group analysis of the vibrational activity of molecules

DOI10.1002/QUA.20772MaRDI QIDQ3566846zbMATH OpenOpenAlexFDO

Authors Benjamin Vail, Damian Aris, Mihai Scarlete

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.20772

zbMATH Keywords

\texttt{Maple}computation of normal modesmolecular vibrationpoint group analysissymbolic computation engine

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Computational methods for problems pertaining to quantum theory (81-08)

Recommendations

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• scientific article; zbMATH DE number 148707
• Special issue: Mathematical methods and symbolic calculation in Chemistry and Chemical Biology

Cited in

(1)

• SYVA: a program to analyze symmetry of molecules based on vector algebra

Describes a project that uses

Uses Software

• GAP
• Mathematica
• Mathcad
• Maple

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