Basis set dependence of molecular information channels and their entropic bond descriptors

DOI10.1007/s10910-012-9982-0zbMath1422.92195MaRDI QIDQ454316

Dariusz Szczepanik, Roman F. Nalewajski, Janusz Mrozek

Publication date: 1 October 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-012-9982-0

zbMATH Keywords

information theory; molecular information channels; basis set dependence; bond covalency/ionicity; chemical bond multiplicities; entropic bond descriptors; maximum overlap criterion; minimum information distance rule; orbital communication theory

Mathematics Subject Classification ID

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

Related Items

Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion, Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\), On \textit{phase}-equilibria in molecules, Quantum information descriptors and communications in molecules, On quadratic bond-order decomposition within molecular orbital space, 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, Stationarity of electron distribution in ground-state molecular systems

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