Entropy/information bond indices of molecular fragments

DOI10.1007/S10910-005-4529-2MaRDI QIDQ551985zbMATH OpenOpenAlexFDO

Authors Roman F. Nalewajski

Publication date 21 July 2011

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

Full work available at URL https://doi.org/10.1007/s10910-005-4529-2

zbMATH Keywords

information theoryatoms-in-moleculesbond-orderschemical bonds communication theoryentropy informationmolecular fragments

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Entropy/information descriptors of the chemical bond revisited
• Entropy/information coupling between orbital-communications in molecular subsystems
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Cited in

(18)

• Local information-distance thermodynamics of molecular fragments
• Entropic descriptors of the chemical bond in H2: Local resolution of stockholder atoms
• Entropy of chemical processes versus numerical representability of orderings
• A close-up to the bond-breaking and bond-forming using information theory
• Entropy/information coupling between orbital-communications in molecular subsystems
• Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond
• On phases and interference of local communications in molecules
• Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\)
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• 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
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• On \textit{phase}-equilibria in molecules
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• On molecular similarity in communication theory of the chemical bond
• Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution
• Communication-theory perspective on valence-bond theory
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages

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