Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/40308
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dc.contributor.authorEstrada, Ernesto-
dc.contributor.authorTorres, Luis-
dc.contributor.authorRodriguez, Lissette-
dc.contributor.authorGutman, Ivan-
dc.date.accessioned2017-02-09T11:34:13Z-
dc.date.available2017-02-09T11:34:13Z-
dc.date.issued1998-10-
dc.identifier.issn0975-0975(Online); 0376-4710(Print)-
dc.identifier.urihttp://nopr.niscair.res.in/handle/123456789/40308-
dc.description849-855en_US
dc.description.abstractThe atom-bond connectivity index (ABC), a novel graph theoretical invariant, based on the connectivity between atoms and bonds in a molecule, is proposed. This structure-descriptor is computed from the vertex and edge degrees, but in contrast to the original connectivity index of Randic - ABC does not reflect the extent of branching of the molecule. ABC is used to describe the heats of formation of alkanes, resulting in a good quantitative structure-property relationship (QSPR) model ( r = 0.9970). The model is interpreted in such a manner that the intercept and slope of the regression equation have a physical meaning.en_US
dc.language.isoen_USen_US
dc.publisherNISCAIR-CSIR, Indiaen_US
dc.rights CC Attribution-Noncommercial-No Derivative Works 2.5 Indiaen_US
dc.sourceIJC-A Vol.37A(10) [October 1998]en_US
dc.titleAn atom-bond connectivity index: Modelling the enthalpy of formation of alkanesen_US
dc.typeArticleen_US
Appears in Collections:IJC-A Vol.37A(10) [October 1998]

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