The reaction force. A scalar property to characterize reaction mechanisms

DOI10.1007/S10910-008-9478-0zbMath1196.92072OpenAlexW2019470116WikidataQ59204960 ScholiaQ59204960MaRDI QIDQ839369

Jorge Martinez, Alejandro Toro-Labbé

Publication date: 2 September 2009

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

Full work available at URL: https://doi.org/10.1007/s10910-008-9478-0

zbMATH Keywords

reaction coordinatesreaction forcereaction mechanismsHellman-Feynman theorem

Mathematics Subject Classification ID

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

Uses Software

• GAUSSIAN

Cites Work

• Unnamed Item
• Some Applications of Hypervirial Theorems to the Calculation of Average Values
• Forces in Molecules

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