Chemical bonds from through-bridge orbital communications in prototype molecular systems
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Publication:631459
DOI10.1007/s10910-010-9761-8zbMath1207.92054MaRDI QIDQ631459
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
information theory; bonding mechanisms; chemical bonds; entropic bond indices; Wiberg bond-orders; orbital bridges; pi-electron systems; propellanes; through-bridge interactions; through-space bonds
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
Related Items
Basis set dependence of molecular information channels and their entropic bond descriptors, On interference of orbital communications in molecular systems, On the implicit bond-dependency origins of bridge interactions, Entropy/information descriptors of the chemical bond revisited, Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\), Stationarity of electron distribution in ground-state molecular systems
Cites Work
- 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
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