On quadratic bond-order decomposition within molecular orbital space

DOI10.1007/s10910-013-0169-0zbMath1264.92055OpenAlexW2151356146WikidataQ59303134 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

zbMATH Keywords

scattering operatorcommunication theorybond order decompositionlocalized orbitalmolecular orbitalWiberg's index

Mathematics Subject Classification ID

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

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

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