Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond

DOI10.1007/S10910-009-9595-4zbMATH Open1200.92056OpenAlexW2040205253MaRDI QIDQ848191FDOQ848191

Authors: Roman F. Nalewajski 

Publication date: 2 March 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9595-4

Recommendations

• Entropy/information coupling between orbital-communications in molecular subsystems
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• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Entropy/information descriptors of the chemical bond revisited
• Basis set dependence of molecular information channels and their entropic bond descriptors
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages
• Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\)
• Entropic descriptors of quantum communications in molecules

zbMATH Keywords

information theoryionicitybond descriptorscatalytic systemschemical bond theoryentropy covalencymany-orbital probabilitiesmolecular information systemsorbital communications in molecules

Mathematics Subject Classification ID

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

Cites Work

• On Information and Sufficiency
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Communication-theory perspective on valence-bond theory
• Title not available (Why is that?)
• Entropy/information bond indices of molecular fragments
• Entropy/information coupling between orbital-communications in molecular subsystems
• Local information-distance thermodynamics of molecular fragments
• On molecular similarity in communication theory of the chemical bond
• Entropic descriptors of the chemical bond in H2: Local resolution of stockholder atoms
• Manifestations of Pauli exclusion principle in communication theory of the chemical bond

Cited In (27)

• Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion
• On quadratic bond-order decomposition within molecular orbital space
• Basis set dependence of molecular information channels and their entropic bond descriptors
• On entropy-continuity descriptors of molecular equilibrium states
• Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments
• EVALUATING THE NATURE OF CHEMICAL BONDS BASED ON PROBABILISTIC MODELS
• Quantum information approach to electronic equilibria: molecular fragments and \textit{non}-equilibrium thermodynamic description
• Quantum information descriptors in position and momentum spaces
• A close-up to the bond-breaking and bond-forming using information theory
• Quantum information descriptors and communications in molecules
• Natural atomic probabilities in quantum information theory
• Entropy/information coupling between orbital-communications in molecular subsystems
• On probability flow descriptors in position and momentum spaces
• On phases and interference of local communications in molecules
• On interference of orbital communications in molecular systems
• Chemical bonds from through-bridge orbital communications in prototype molecular systems
• On the implicit bond-dependency origins of bridge interactions
• Use of non-additive information measures in exploring molecular electronic structure: Stockholder bonded atoms and role of kinetic energy in the chemical bond
• Manifestations of Pauli exclusion principle in communication theory of the chemical bond
• INFORMATION ENERGY AS AN ELECTRON CORRELATION MEASURE IN ATOMIC AND MOLECULAR SYSTEMS
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• On \textit{phase}-equilibria in molecules
• On molecular similarity in communication theory of the chemical bond
• Entropic descriptors of quantum communications in molecules
• Resultant entropy/information, phase/entropy continuity and bond multiplicities in degenerate electronic states
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages
• Stationarity of electron distribution in ground-state molecular systems

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