On two methods for computing the non-rigid group of molecules

MaRDI QIDQ2932663zbMATH OpenFDO

Authors A. R. Ashrafi, A. Iranmanesh

Publication date 9 December 2014

Full work available at URL http://www.ijmsi.ir/browse.php?slc_lang=en&sid=1&a_id=53

zbMATH Keywords

character tablecomputer algebra system GAPnon-rigid groupHNT

Mathematics Subject Classification ID

Ordinary representations and characters (20C15) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(10)

• Computation of the character table for p-xylene
• The molecular symmetry group theory for trimethylamine-\(\mathrm{BH}_3\) addend (\(\mathrm{BH}_3\) free of rotation)
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• The determination of point groups from imprecise molecular geometries
• The non-rigid group for wagging and torsion modes in methylamine
• The full nonrigid group theory for trimethylamine
• Group-theoretic determination of normal coordinates for molecular vibration
• The full non-rigid group theory for trimethylamine-BH₃ complex

Describes a project that uses

Uses Software

• GAP

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