Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments

DOI10.1007/s10910-010-9766-3zbMath1207.92055OpenAlexW2039110312MaRDI QIDQ631466

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/s10910-010-9766-3

zbMATH Keywords

density matrixinformation theorymolecular information channelsorbital communication theorymolecular fragmentsbond ordersbond projectionsconditional probabilities of orbitalscouplings of chemical bondsmany-orbital eventssuperposition principle for subspaces

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (9)

On quadratic bond-order decomposition within molecular orbital space ⋮ Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\) ⋮ Chemical bonds from through-bridge orbital communications in prototype molecular systems ⋮ 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 ⋮ On the implicit bond-dependency origins of bridge interactions ⋮ Entropic descriptors of quantum communications in molecules ⋮ On interference of orbital communications in molecular systems ⋮ On \textit{phase}-equilibria in molecules

Cites Work

• 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
• Entropy/information coupling between orbital-communications in molecular subsystems
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