Interplay between cation-pi and hydrogen bonding interactions

Show simple item record Escudero, Daniel Quiñonero Santiago, David Frontera Beccaria, Antonio Deyà Serra, Pere Maria 2018-09-25T09:48:07Z
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:
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 2018-09-25T09:48:08Z info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess

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