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

DOI10.1007/S10910-010-9763-6MaRDI QIDQ631460zbMATH OpenOpenAlexFDO

Authors Dariusz Szczepanik, Janusz Mrozek

Publication date 14 March 2011

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

Copyright license Creative Commons Attribution-NonCommercial 4.0 International

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

zbMATH Keywords

bond ordercommunication channelcovalencyinformation scatteringionicity

Mathematics Subject Classification ID

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

Recommendations

• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• Entropy/information descriptors of the chemical bond revisited
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Entropic descriptors of quantum communications in molecules

Cites work

• 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
• Entropy/information bond indices of molecular fragments
• EVALUATING THE NATURE OF CHEMICAL BONDS BASED ON PROBABILISTIC MODELS

Cited in

(10)

• On quadratic bond-order decomposition within molecular orbital space
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• A close-up to the bond-breaking and bond-forming using information theory
• 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
• Through-space and through-bridge components of chemical bonds
• Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages

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