dc.contributor.author |
Escudero, Daniel
|
|
dc.contributor.author |
Quiñonero Santiago, David
|
|
dc.contributor.author |
Frontera Beccaria, Antonio
|
|
dc.contributor.author |
Deyà Serra, Pere Maria
|
|
dc.date.accessioned |
2018-09-25T09:48:07Z |
|
dc.identifier.uri |
http://hdl.handle.net/11201/147641 |
|
dc.description.abstract |
[eng] The interplay between two important non-covalent interactions involving aromatic rings is studied by means of ab initio calculations (MP2/6-31++G**). They demonstrate that synergetic effects are present in complexes where cation-p and hydrogen bonding interactions coexist. These synergetic effects have been studied using the 'atoms-in-molecules' theory and the Molecular Interaction Potential with polarization partition scheme. |
|
dc.format |
application/pdf |
|
dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1016/j.cplett.2008.03.028 |
|
dc.relation.ispartof |
Chemical Physics Letters, 2008, vol. 456, num. 4-6, p. 257-261 |
|
dc.subject.classification |
54 - Química |
|
dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
|
dc.title |
Interplay between cation-pi and hydrogen bonding interactions |
|
dc.type |
info:eu-repo/semantics/article |
|
dc.type |
info:eu-repo/semantics/acceptedVersion |
|
dc.date.updated |
2018-09-25T09:48:08Z |
|
dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
|
dc.embargo |
2075-01-01 |
|
dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
|
dc.identifier.doi |
https://doi.org/10.1016/j.cplett.2008.03.028 |
|