Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

dc.contributor.author	Domingo, Luis R.
dc.contributor.author	Ríos-Gutiérrez, Mar
dc.contributor.author	Pérez, Patricia
dc.date.accessioned	2016-07-22T14:25:40Z
dc.date.available	2016-07-22T14:25:40Z
dc.date.issued	2016
dc.description	Indexación: Web of Science	es
dc.description.abstract	Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic and nucleophilic Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.	es
dc.description.uri	http://www.mdpi.com/1420-3049/21/6/748
dc.identifier.citation	Molecules 2016, 21(6), 748	es
dc.identifier.issn	1420-3049
dc.identifier.other	10.3390/molecules21060748
dc.identifier.uri	http://repositorio.unab.cl/xmlui/handle/ria/1136
dc.language.iso	en	es
dc.publisher	MDPI AG	es
dc.rights.uri	https://creativecommons.org/licenses/by/4.0/
dc.subject	Conceptual DFT	es
dc.subject	Reactivity indices	es
dc.subject	Molecular electron density theory	es
dc.subject	Electrophilicity	es
dc.subject	Nucleophilicity	es
dc.subject	Parr functions	es
dc.title	Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity	es
dc.type	Artículo	es

Mostrando 1 - 1 de 1

Mostrando 1 - 1 de 1