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

DOI10.1007/S10910-009-9653-YzbMATH Open1190.92052OpenAlexW1976648686MaRDI QIDQ977059FDOQ977059

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

Recommendations

• Approximate symmetry characteristics using fuzzy-subset theory study for chiral transitions of allene-1,3,-dihalides
• Extension and foundations of the continuous symmetry measure
• Newton trajectories in the curvilinear metric of internal coordinates
• Second-order saddle dynamics in isomerization reaction
• Compactness of molecular reaction paths in quantum mechanics

zbMATH Keywords

IRCreaction pathcontinuous symmetry measurediazene

Mathematics Subject Classification ID

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

Cites Work

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

Cited In (2)

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

Uses Software

• GAUSSIAN

This page was built for publication: Determining symmetry changes during a chemical reaction: the case of diazene isomerization

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q977059)