Matches in SemOpenAlex for { <https://semopenalex.org/work/W996855018> ?p ?o ?g. }
Showing items 1 to 76 of
76
with 100 items per page.
- W996855018 endingPage "243" @default.
- W996855018 startingPage "201" @default.
- W996855018 abstract "The elements of the Communication Theory of the chemical bond are presented. Molecular systems are interpreted as information channels in atomic resolution, in which the “ signals ” of electron allocations to constituent atoms are propagated from the molecular input (“source”), determined by either the free-atoms of the promolecule or the bonded-atoms in the molecule, to the molecular output (“receiver”) consisting of AIM. The transmission network of the system chemical bonds is determined by the molecular two-electron (conditional) probabilities in atomic resolution. The electron delocalization throughout the system is responsible for the effective “ noise ” affecting the transmission of such atom-assignment signals, which inhibits the amount of information passing through the communication channel. These complementary facets of the molecular information systems are characterized by the conditional entropy and mutual information descriptors, respectively. It is argued that they accordingly provide the adequate (ground-state) IT- indices of the system overall covalent and ionic bond components. Their variational principles are explored and an illustrative application of this novel IT-approach to the Heitler-London theory of the chemical bond in H 2 is reported. The communication systems corresponding to the VB-structures and their VB -covalent and VB -ionic combinations are examined for their information-ionicity and entropy-eovalency content. The purely IT-covalent and purely IT-ionic combinations of elementary VB-structures are identified thus providing a dichotomous separation of these two bond components and a new perspective on their competition in the chemical bond. A distinction between the electron-sharing (covalent) and pair-sharing (coordination) bond origins is explored and the illustrative application to the two-orbital model of the ground-state of two-electrons in a diatomic system is given. The overall bond-order conservation due to a competition between the bond IT- ionic and IT- covalent components is examined and the entropy/information descriptors of the model singlet spin-channel are discussed. Finally, the ground-state IT-indices of π bonds in ethylene, allyl, butadiene and benzene are determined for the information channels generated by the Hückel theory." @default.
- W996855018 created "2016-06-24" @default.
- W996855018 creator A5018498247 @default.
- W996855018 date "2006-01-01" @default.
- W996855018 modified "2023-10-14" @default.
- W996855018 title "Communication Theory of the Chemical Bond" @default.
- W996855018 doi "https://doi.org/10.1016/b978-044451966-5/50071-2" @default.
- W996855018 hasPublicationYear "2006" @default.
- W996855018 type Work @default.
- W996855018 sameAs 996855018 @default.
- W996855018 citedByCount "0" @default.
- W996855018 crossrefType "book-chapter" @default.
- W996855018 hasAuthorship W996855018A5018498247 @default.
- W996855018 hasConcept C105795698 @default.
- W996855018 hasConcept C106301342 @default.
- W996855018 hasConcept C121332964 @default.
- W996855018 hasConcept C124600460 @default.
- W996855018 hasConcept C145148216 @default.
- W996855018 hasConcept C147597530 @default.
- W996855018 hasConcept C149635348 @default.
- W996855018 hasConcept C155860418 @default.
- W996855018 hasConcept C159467904 @default.
- W996855018 hasConcept C178213299 @default.
- W996855018 hasConcept C178790620 @default.
- W996855018 hasConcept C180577832 @default.
- W996855018 hasConcept C185592680 @default.
- W996855018 hasConcept C2182769 @default.
- W996855018 hasConcept C32909587 @default.
- W996855018 hasConcept C33923547 @default.
- W996855018 hasConcept C41008148 @default.
- W996855018 hasConcept C52622258 @default.
- W996855018 hasConcept C58312451 @default.
- W996855018 hasConcept C62520636 @default.
- W996855018 hasConcept C70050531 @default.
- W996855018 hasConcept C92691475 @default.
- W996855018 hasConceptScore W996855018C105795698 @default.
- W996855018 hasConceptScore W996855018C106301342 @default.
- W996855018 hasConceptScore W996855018C121332964 @default.
- W996855018 hasConceptScore W996855018C124600460 @default.
- W996855018 hasConceptScore W996855018C145148216 @default.
- W996855018 hasConceptScore W996855018C147597530 @default.
- W996855018 hasConceptScore W996855018C149635348 @default.
- W996855018 hasConceptScore W996855018C155860418 @default.
- W996855018 hasConceptScore W996855018C159467904 @default.
- W996855018 hasConceptScore W996855018C178213299 @default.
- W996855018 hasConceptScore W996855018C178790620 @default.
- W996855018 hasConceptScore W996855018C180577832 @default.
- W996855018 hasConceptScore W996855018C185592680 @default.
- W996855018 hasConceptScore W996855018C2182769 @default.
- W996855018 hasConceptScore W996855018C32909587 @default.
- W996855018 hasConceptScore W996855018C33923547 @default.
- W996855018 hasConceptScore W996855018C41008148 @default.
- W996855018 hasConceptScore W996855018C52622258 @default.
- W996855018 hasConceptScore W996855018C58312451 @default.
- W996855018 hasConceptScore W996855018C62520636 @default.
- W996855018 hasConceptScore W996855018C70050531 @default.
- W996855018 hasConceptScore W996855018C92691475 @default.
- W996855018 hasLocation W9968550181 @default.
- W996855018 hasOpenAccess W996855018 @default.
- W996855018 hasPrimaryLocation W9968550181 @default.
- W996855018 hasRelatedWork W1548038933 @default.
- W996855018 hasRelatedWork W1575356012 @default.
- W996855018 hasRelatedWork W1653366748 @default.
- W996855018 hasRelatedWork W1967427815 @default.
- W996855018 hasRelatedWork W2046749518 @default.
- W996855018 hasRelatedWork W2125892451 @default.
- W996855018 hasRelatedWork W2761336751 @default.
- W996855018 hasRelatedWork W3099528610 @default.
- W996855018 hasRelatedWork W4234764142 @default.
- W996855018 hasRelatedWork W996855018 @default.
- W996855018 isParatext "false" @default.
- W996855018 isRetracted "false" @default.
- W996855018 magId "996855018" @default.
- W996855018 workType "book-chapter" @default.