Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution

DOI10.1007/s10910-010-9763-6zbMath1207.92058OpenAlexW2000910378MaRDI QIDQ631460

Dariusz Szczepanik, Janusz Mrozek

Publication date: 14 March 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-010-9763-6

zbMATH Keywords

communication channelbond ordercovalencyinformation scatteringionicity

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

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 chemical hardness through Shannon's entropy ⋮ On the information obtained using Shannon's entropy through spin density ⋮ A close-up to the bond-breaking and bond-forming using information theory

Cites Work

• Entropy/information bond indices of molecular fragments
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• EVALUATING THE NATURE OF CHEMICAL BONDS BASED ON PROBABILISTIC MODELS

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