Chemical bonds from through-bridge orbital communications in prototype molecular systems

DOI10.1007/s10910-010-9761-8zbMath1207.92054OpenAlexW2171256295MaRDI QIDQ631459

Roman F. Nalewajski

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/s10910-010-9761-8

zbMATH Keywords

information theorybonding mechanismschemical bondsentropic bond indicesWiberg bond-ordersorbital bridgespi-electron systemspropellanesthrough-bridge interactionsthrough-space bonds

Mathematics Subject Classification ID

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

Related Items

Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\) ⋮ On the implicit bond-dependency origins of bridge interactions ⋮ Basis set dependence of molecular information channels and their entropic bond descriptors ⋮ Entropy/information descriptors of the chemical bond revisited ⋮ On interference of orbital communications in molecular systems ⋮ Stationarity of electron distribution in ground-state molecular systems

Cites Work

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• Through-space and through-bridge components of chemical bonds
• Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments
• Use of non-additive information measures in exploring molecular electronic structure: Stockholder bonded atoms and role of kinetic energy in the chemical bond
• Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• On molecular similarity in communication theory of the chemical bond