Through-space and through-bridge components of chemical bonds

DOI10.1007/S10910-010-9747-6MaRDI QIDQ631438zbMATH OpenOpenAlexFDO

Authors Roman F. Nalewajski

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/s10910-010-9747-6

zbMATH Keywords

bond orderschemical interactionsdirect/indirect bonding mechanismsentropic bond indicesinformation-theoretic bond multiplicitiesorbital communication theory of chemical bondsthrough-bridge/through-space bond componentsWiberg bond-orders

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Chemical bonds from through-bridge orbital communications in prototype molecular systems
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• Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution

Cites work

• Additive and non-additive information channels in orbital communication theory of the chemical bond
• scientific article; zbMATH DE number 3131829 (Why is no real title available?)
• scientific article; zbMATH DE number 3615696 (Why is no real title available?)
• scientific article; zbMATH DE number 3062467 (Why is no real title available?)
• Use of non-additive information measures in exploring molecular electronic structure: Stockholder bonded atoms and role of kinetic energy in the chemical bond

Cited in

(15)

• Information-theoretic multiplicities of chemical bond in Shull's model of H₂
• On \textit{phase}-equilibria in molecules
• Quantum information descriptors and communications in molecules
• On phases and interference of local communications in molecules
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• Stationarity of electron distribution in ground-state molecular systems
• A close-up to the bond-breaking and bond-forming using information theory
• Basis set dependence of molecular information channels and their entropic bond descriptors
• On interference of orbital communications in molecular systems
• 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
• Chemical bonds from through-bridge orbital communications in prototype molecular systems
• On the implicit bond-dependency origins of bridge interactions
• Entropy/information descriptors of the chemical bond revisited

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