The determination of point groups from imprecise molecular geometries

DOI10.1007/S10910-021-01302-XzbMATH Open1482.92127OpenAlexW3213686083WikidataQ114225649 ScholiaQ114225649MaRDI QIDQ2072222FDOQ2072222

Authors: P. J. Knowles 

Publication date: 26 January 2022

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

Full work available at URL: https://doi.org/10.1007/s10910-021-01302-x

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zbMATH Keywords

symmetrymolecular structurepoint group

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Title not available (Why is that?)
• Continuous symmetry measures: A note in proof of the folding/unfolding method
• Generalized chirality and symmetry deficiency
• Continuous symmetry measures. VI: The relations between polyhedral point-group/subgroup symmetries

Cited In (4)

• An application of geometrical isometries in non-planar molecules
• Might molecular symmetry operations exist ``partially?
• Improved algorithms for symmetry analysis: structure preserving permutations
• Title not available (Why is that?)

Uses Software

• MOLPRO
• Symmetrizer

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