Interplay between cation-pi and hydrogen bonding interactions

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