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Entropic descriptors of quantum communications in molecules

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Entropic descriptors of quantum communications in molecules

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dc.contributor.author Nalewajski, Roman [SAP11006579] pl
dc.date.accessioned 2015-07-07T07:44:44Z
dc.date.available 2015-07-07T07:44:44Z
dc.date.issued 2015 pl
dc.identifier.issn 0259-9791 pl
dc.identifier.uri http://ruj.uj.edu.pl/xmlui/handle/item/11835
dc.language eng pl
dc.rights Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa *
dc.rights.uri http://creativecommons.org/licenses/by/4.0/pl/legalcode *
dc.title Entropic descriptors of quantum communications in molecules pl
dc.type JournalArticle pl
dc.description.physical 1-28 pl
dc.identifier.weblink https://link.springer.com/content/pdf/10.1007%2Fs10910-014-0405-2.pdf pl
dc.abstract.en The classical Information Theory (IT) deals with entropic descriptors of the probability distributions and probability-propagation (communication) systems, e.g., the electronic channels in molecules reflecting the information scattering via the system chemical bonds. The quantum IT additionally accounts for the non-classical (current/phase)-related contributions in the resultant information content of electronic states. The classical and non-classical terms in the quantum Shannon entropy and Fisher information are reexamined. The associated probability-propagation and current-scattering networks are introduced and their Fisher- and Shannon-type descriptors are identified. The non-additive and additive information descriptors of the probability channels in both the Atomic Orbital and local resolution levels are related to the network conditional-entropy and mutual-information, which represent the IT covalency and ionicity components in the classical communication theory of the chemical bond. A similar partition identifies the associated bond indices in the molecular current/phase channels. The resultant bond descriptors combining the classical and non-classical terms, due to the probability and current distributions, respectively, are proposed as generalized communication-noise (covalency) and information-flow (iconicity) concepts in the quantum IT. pl
dc.description.volume 53 pl
dc.description.number 1 pl
dc.identifier.doi 10.1007/s10910-014-0405-2 pl
dc.identifier.eissn 1572-8897 pl
dc.title.journal Journal of Mathematical Chemistry pl
dc.language.container eng pl
dc.date.accession 2019-04-26 pl
dc.affiliation Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego pl
dc.subtype Article pl
dc.rights.original CC-BY; inne; ostateczna wersja wydawcy; w momencie opublikowania; 0; pl
dc.identifier.project ROD UJ / P pl
.pointsMNiSW [2015 A]: 25


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Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa Except where otherwise noted, this item's license is described as Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa