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On phases and interference of local communications in molecules
covalent/ionic components
information theory
amplitude phases
interference of communications
chemical bonds
local propagations
entropic multiplicities
molecular communications
The role of phases in local Communication Theory of the Chemical Bond is investigated. Probability amplitudes of such molecular ( fine -grained) information systems originate from the superposition principle of quantum mechanics involving the projection onto the bond system defined by the subspace of the state occupied Molecular Orbitals. They are explicitly phase -dependent, thus being capable of inter- ference effects. The phase factors of the local direct and indirect (bridge, cascade) channels are examined and the associated amplitude/probability sum rules are estab- lished. The entropic descriptors of the local channels, providing the system “covalent” (communication- noise ) and “ionic” (information- flow ) components, are investigated using prototype one -electron systems. The competition between these information- theoretic measures of the chemical bond covalency (electron delocalization) and ion- icity (electron localization) is illustrated in H + 2 and H 2.
cris.lastimport.wos | 2024-04-10T01:16:03Z | |
dc.abstract.en | The role of phases in local Communication Theory of the Chemical Bond is investigated. Probability amplitudes of such molecular ( fine -grained) information systems originate from the superposition principle of quantum mechanics involving the projection onto the bond system defined by the subspace of the state occupied Molecular Orbitals. They are explicitly phase -dependent, thus being capable of inter- ference effects. The phase factors of the local direct and indirect (bridge, cascade) channels are examined and the associated amplitude/probability sum rules are estab- lished. The entropic descriptors of the local channels, providing the system “covalent” (communication- noise ) and “ionic” (information- flow ) components, are investigated using prototype one -electron systems. The competition between these information- theoretic measures of the chemical bond covalency (electron delocalization) and ion- icity (electron localization) is illustrated in H + 2 and H 2. | pl |
dc.affiliation | Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego | pl |
dc.contributor.author | Nalewajski, Roman - 130874 | pl |
dc.date.accession | 2019-02-14 | pl |
dc.date.accessioned | 2015-06-11T06:16:27Z | |
dc.date.available | 2015-06-11T06:16:27Z | |
dc.date.issued | 2014 | pl |
dc.date.openaccess | 0 | |
dc.description.accesstime | w momencie opublikowania | |
dc.description.number | 1 | pl |
dc.description.physical | 72-92 | pl |
dc.description.version | ostateczna wersja wydawcy | |
dc.description.volume | 52 | pl |
dc.identifier.doi | 10.1007/s10910-013-0246-4 | pl |
dc.identifier.eissn | 1572-8897 | pl |
dc.identifier.issn | 0259-9791 | pl |
dc.identifier.project | ROD UJ / P | pl |
dc.identifier.uri | http://ruj.uj.edu.pl/xmlui/handle/item/9304 | |
dc.identifier.weblink | https://link.springer.com/content/pdf/10.1007%2Fs10910-013-0246-4.pdf | pl |
dc.language | eng | pl |
dc.language.container | eng | pl |
dc.rights | Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa | * |
dc.rights.licence | CC-BY | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/legalcode.pl | * |
dc.share.type | inne | |
dc.subject.en | covalent/ionic components | pl |
dc.subject.en | information theory | pl |
dc.subject.en | amplitude phases | pl |
dc.subject.en | interference of communications | pl |
dc.subject.en | chemical bonds | pl |
dc.subject.en | local propagations | pl |
dc.subject.en | entropic multiplicities | pl |
dc.subject.en | molecular communications | pl |
dc.subtype | Article | pl |
dc.title | On phases and interference of local communications in molecules | pl |
dc.title.journal | Journal of Mathematical Chemistry | pl |
dc.type | JournalArticle | pl |
dspace.entity.type | Publication |
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