dc.contributor.author |
Garau Rosselló, Carolina
|
|
dc.contributor.author |
Frontera Beccaria, Antonio
|
|
dc.contributor.author |
Quiñonero Santiago, David
|
|
dc.contributor.author |
Ballester Balaguer, Pablo José
|
|
dc.contributor.author |
Costa Torres, Antonio
|
|
dc.contributor.author |
Deyà Serra, Pere Maria
|
|
dc.date.accessioned |
2018-09-25T09:56:53Z |
|
dc.identifier.uri |
http://hdl.handle.net/11201/147645 |
|
dc.description.abstract |
[eng] A complete orbital analysis of two isoelectronic complexes of trifluorobenzene (TFB), TFB F and TFB Na+, as models for anion-p and cation-p interactions, respectively, has been performed at the MP2/6-31++G** level of theory. There are important orbital differences between both interactions, which are discussed in detail herein. |
|
dc.format |
application/pdf |
|
dc.relation.isformatof |
Versió postprint del document publicat a: |
|
dc.relation.ispartof |
Chemical Physics Letters, 2004, vol. 399, p. 220-225 |
|
dc.subject.classification |
54 - Química |
|
dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
|
dc.title |
Cation-pi versus Anion-pi interactions: a complete pi-orbital analysis |
|
dc.type |
info:eu-repo/semantics/article |
|
dc.type |
info:eu-repo/semantics/acceptedVersion |
|
dc.date.updated |
2018-09-25T09:56:53Z |
|
dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
|
dc.embargo |
2075-01-01 |
|
dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
|