Determining symmetry changes during a chemical reaction: the case of diazene isomerization

DOI10.1007/S10910-009-9653-YMaRDI QIDQ977059zbMATH OpenOpenAlexFDO

Authors Inbal Tuvi-Arad, David Avnir

Publication date 16 June 2010

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

Full work available at URL https://doi.org/10.1007/s10910-009-9653-y

zbMATH Keywords

IRCreaction pathcontinuous symmetry measurediazene

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20)

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Cites work

• Continuous symmetry measures. VI: The relations between polyhedral point-group/subgroup symmetries
• Continuous symmetry measures: A note in proof of the folding/unfolding method
• Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
• Note on an Approximation Treatment for Many-Electron Systems
• Optical switches for remote and noninvasive control of cell signaling
• Properties and classification of enantiomerization pathways
• QSAR and the ultimate molecular descriptor: The shape of electron density clouds

Cited in

(2)

• Might molecular symmetry operations exist ``partially?
• Improved algorithms for symmetry analysis: structure preserving permutations

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Uses Software

• GAUSSIAN

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