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dc.date.accessioned 2014-07-10T20:49:18Z
dc.date.available 2014-07-10T20:49:18Z
dc.date.issued 2001
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/37789
dc.description.abstract The enthalpy of formation of a set of 60 hydroarbons is calculated on the basis of topological descriptors defined from the distance and detour matrices within the realm of the QSAR/QSPR theory. Linear and non-linear polynomials fittings are made and results show the need to resort to higher-order regression equations in order to get better concordances between theoretical results and experimental available data. Besides, topological indices computed from maximum order distances seems to yield rather satisfactory predictions of heats of formation for hydrocarbons. en
dc.format.extent 121-132 es
dc.language en es
dc.subject detour matrix en
dc.subject enthalpy of formation en
dc.subject hydrocarbons en
dc.subject QSPR theory en
dc.subject topological indices en
dc.title Maximum topological distances based indices as molecular descriptors for QSPR 4 en
dc.type Articulo es
sedici.identifier.uri http://www.mdpi.com/1422-0067/2/2/121 es
sedici.identifier.issn 1422-0067 es
sedici.title.subtitle Modeling the enthalpy of formation of hydrocarbons from elements en
sedici.creator.person Mercader, Andrew Gustavo es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Toropov, Andrey A. es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Facultad de Ciencias Exactas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 3.0 Unported (CC BY 3.0)
sedici.rights.uri http://creativecommons.org/licenses/by/3.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle International Journal of Molecular Sciences es
sedici.relation.journalVolumeAndIssue vol. 2, no. 2 es


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Creative Commons Attribution 3.0 Unported (CC BY 3.0) Except where otherwise noted, this item's license is described as Creative Commons Attribution 3.0 Unported (CC BY 3.0)