On quadratic bond-order decomposition within molecular orbital space
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Publication:2375874
DOI10.1007/s10910-013-0169-0zbMath1264.92055WikidataQ59303134 ScholiaQ59303134MaRDI QIDQ2375874
Janusz Mrozek, Dariusz Szczepanik
Publication date: 25 June 2013
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-013-0169-0
scattering operator; communication theory; bond order decomposition; localized orbital; molecular orbital; Wiberg's index
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
Cites Work
- Basis set dependence of molecular information channels and their entropic bond descriptors
- Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments
- Entropy/information descriptors of the chemical bond revisited
- Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond
- Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\)
- The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials
- New Developments in Molecular Orbital Theory