Variation of the Electrophilicity Index along the Reaction Path
| Author | dc.contributor.author | Chamorro, Eduardo | |
| Author | dc.contributor.author | Chattaraj, Pratim K. | |
| Author | dc.contributor.author | Fuentealba Rosas, Patricio | |
| Admission date | dc.date.accessioned | 2018-12-19T20:28:31Z | |
| Available date | dc.date.available | 2018-12-19T20:28:31Z | |
| Publication date | dc.date.issued | 2003 | |
| Cita de ítem | dc.identifier.citation | Journal of Physical Chemistry A, Volumen 107, Issue 36, 2003, Pages 7068-7072 | |
| Identifier | dc.identifier.issn | 10895639 | |
| Identifier | dc.identifier.other | 10.1021/jp035435y | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/153521 | |
| Abstract | dc.description.abstract | A study was performed on the variation of the electrophilicity index along the reaction path. Implications within the widely used finite difference approximation for density-functional based reactivity descriptors, their relationship with the maximum hardness principle (MHP) and the reliability of the general relationships were tested. The results showed that under the conditions for the existence of a MHP, a minimum electrophilicity principle existed. | |
| Lenguage | dc.language.iso | en | |
| Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
| Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
| Source | dc.source | Journal of Physical Chemistry A | |
| Keywords | dc.subject | Physical and Theoretical Chemistry | |
| Título | dc.title | Variation of the Electrophilicity Index along the Reaction Path | |
| Document type | dc.type | Artículo de revista | |
| Cataloguer | uchile.catalogador | crb | |
| Indexation | uchile.index | Artículo de publicación SCOPUS | |
| uchile.cosecha | uchile.cosecha | SI |
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