A close-up to the bond-breaking and bond-forming using information theory

DOI10.1007/s10910-022-01436-6OpenAlexW4311441101MaRDI QIDQ2696338

Nelson Flores-Gallegos

Publication date: 11 April 2023

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

Full work available at URL: https://doi.org/10.1007/s10910-022-01436-6

zbMATH Keywords

chemical reactionchannel capacityflow of informationinformation transferbond-breakinginformational entropiesbond-forming

Mathematics Subject Classification ID

Biology and other natural sciences (92-XX) Quantum theory (81-XX)

Related Items (4)

An analysis of the torquoselectivity effect in a ring-opening reaction through Fermi-Dirac's entropy: revealing the origin of the stereoselectivity. ⋮ An approach to Hammond's principle through Kullback-Leibler's entropy ⋮ Fermi-Dirac entropy as a measure of electron interactions ⋮ On the information obtained using Shannon's entropy through spin density

Uses Software

• GAUSSIAN

Cites Work

• A Mathematical Theory of Communication
• Through-space and through-bridge components of chemical bonds
• Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution
• On the implicit bond-dependency origins of bridge interactions
• Entropy/information descriptors of the chemical bond revisited
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages
• QSAR and the ultimate molecular descriptor: The shape of electron density clouds
• The holographic principle for latent molecular properties
• Quantum information descriptors and communications in molecules
• \(q\)-Rényi's entropy as a possible measure of electron correlation
• On the information balance in a simple chemical process
• Entropic descriptors of quantum communications in molecules
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition

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