hrcak mascot   Srce   HID

Izvorni znanstveni članak
https://doi.org/10.5562/cca2000

Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry

Douglas J. Klein ; Texas A&M University at Galveston, Galveston, TX 77553
Vladimir Rosenfeld ; Texas A&M University at Galveston, Galveston, TX 77553

Puni tekst: engleski, pdf (2 MB) str. 49-59 preuzimanja: 694* citiraj
APA 6th Edition
Klein, D.J. i Rosenfeld, V. (2014). Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry. Croatica Chemica Acta, 87 (1), 49-59. https://doi.org/10.5562/cca2000
MLA 8th Edition
Klein, Douglas J. i Vladimir Rosenfeld. "Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry." Croatica Chemica Acta, vol. 87, br. 1, 2014, str. 49-59. https://doi.org/10.5562/cca2000. Citirano 24.06.2021.
Chicago 17th Edition
Klein, Douglas J. i Vladimir Rosenfeld. "Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry." Croatica Chemica Acta 87, br. 1 (2014): 49-59. https://doi.org/10.5562/cca2000
Harvard
Klein, D.J., i Rosenfeld, V. (2014). 'Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry', Croatica Chemica Acta, 87(1), str. 49-59. https://doi.org/10.5562/cca2000
Vancouver
Klein DJ, Rosenfeld V. Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry. Croatica Chemica Acta [Internet]. 2014 [pristupljeno 24.06.2021.];87(1):49-59. https://doi.org/10.5562/cca2000
IEEE
D.J. Klein i V. Rosenfeld, "Forcing, Freedom, & Uniqueness in Graph Theory & Chemistry", Croatica Chemica Acta, vol.87, br. 1, str. 49-59, 2014. [Online]. https://doi.org/10.5562/cca2000

Sažetak
Harary’s & Randić’s ideas of “forcing” & “freedom” involve subsets of double bonds of Kekule structure such as to be unique to that Kekule structure. Such forcing sets are argued to be greatly generalizable to deal with various other coverings, and thence forcing seems to be fundamental, and of notable potential utility. Various forcing invariants associated to (molecular) graphs ensue, with illustrative (chemical) ex-amples and some mathematical consequences being provided. A complementary “uniqueness” idea is not-ed, and the general characteristic of “derivativity” of “forcing” is established (as is relevant for QSPR fit-tings). Different ways in which different sorts of forcings arise in chemistry are briefly indicated.(doi: 10.5562/cca2000)

Ključne riječi
forcing; freedom; Kekule structures; Clar structures; Pauling bond orders; conjugated circuits; resonance structures; maximum matchings; maximal matchings; radicals

Hrčak ID: 122279

URI
https://hrcak.srce.hr/122279

Posjeta: 1.006 *