Symbolic computation engines and molecular modeling templates: Maple‐assisted point group analysis of the vibrational activity of molecules

DOI10.1002/qua.20772zbMath1188.81007OpenAlexW2091419839MaRDI QIDQ3566846

Damian Aris, Benjamin Vail, 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)

Uses Software

• GAP
• Maple
• Mathematica
• Mathcad