| Author | dc.contributor.author | Soto Delgado, Jorge | |
| Author | dc.contributor.author | Aizman, Arie | es_CL |
| Author | dc.contributor.author | Domingo, Luis R. | es_CL |
| Author | dc.contributor.author | Contreras Ramos, Renato | es_CL |
| Admission date | dc.date.accessioned | 2011-06-06T19:07:43Z | |
| Available date | dc.date.available | 2011-06-06T19:07:43Z | |
| Publication date | dc.date.issued | 2010-09-29 | |
| Cita de ítem | dc.identifier.citation | Chemical Physics Letters, Volume: 499, Issue: 4-6, Pages: 272-277, 2010 | es_CL |
| Identifier | dc.identifier.issn | 0009-2614 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/119236 | |
| General note | dc.description | Artículo de publicación ISI | es_CL |
| Abstract | dc.description.abstract | We herein demonstrate that the global electrophilicity may be distributed into fragments within a single
molecule by using an empirical partitioning scheme of the electronic chemical potential framed on the
chemical potential inequality principle. Group electrophilicity for several fragments may thereby be
defined. Their values show a remarkable stability, independent of the chemical environment they are
attached to. The model is applied to asses the chemical reactivity of a series of fragments involved in
intramolecular Diels–Alder reactions. | es_CL |
| Patrocinador | dc.description.sponsorship | Work supported by FONDECYT Grant 1070715. LRD thanks the
Spanish Government for financial support through project
CTQ2009-11 027/BQU. Support from project 130922 from USM is
also acknowledged. JSD acknowledges MECESUP for the fellowship
No.0408 awarded to him. | es_CL |
| Lenguage | dc.language.iso | en | es_CL |
| Publisher | dc.publisher | Elsevier | es_CL |
| Keywords | dc.subject | Density-Functional Theory | es_CL |
| Título | dc.title | Invariance of electrophilicity of independent fragments. Application to intramolecular Diels-Alder reactions | es_CL |
| Document type | dc.type | Artículo de revista | |
