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

DOI10.1007/S10910-009-9653-YzbMath1190.92052OpenAlexW1976648686MaRDI QIDQ977059

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

reaction pathIRCcontinuous symmetry measurediazene

Mathematics Subject Classification ID

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

Related Items (2)

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

Uses Software

• GAUSSIAN

Cites Work

• QSAR and the ultimate molecular descriptor: The shape of electron density clouds
• Properties and classification of enantiomerization pathways
• 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
• Optical Switches for Remote and Noninvasive Control of Cell Signaling
• Note on an Approximation Treatment for Many-Electron Systems
• Continuous symmetry measures. VI: The relations between polyhedral point-group/subgroup symmetries

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