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Cooperativity in multiple unusual weak bonds

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dc.contributor.author Alkorta, Ibon
dc.contributor.author Blanco, Fernando
dc.contributor.author Deyà Serra, Pere Maria
dc.contributor.author Elguero, José
dc.contributor.author Estarellas Martín, Carolina
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Quiñonero Santiago, David
dc.date.accessioned 2018-10-05T12:55:51Z
dc.identifier.uri http://hdl.handle.net/11201/147975
dc.description.abstract [eng] This review covers two aspects concerning cooperativity in multiple weak bonds: a summary of literature results and a theoretical study of a complete series of model complexes. All the 15 combination of five weak bonds were explored: hydrogen bonds, hydric bonds, dihydrogen bonds, halogen bonds and ion-p interactions. Since in several cases there were no examples reported, a systematic exploration has been carried out on simple models at the MP2/aug-cc-pVTZ level. The results thus obtained have been analyzed using the atoms in molecules methodology. en
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1007/s00214-009-0690-1
dc.relation.ispartof Theoretical Chemistry Accounts, 2010, vol. 126, num. 1-2, p. 1-14
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Cooperativity in multiple unusual weak bonds
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-10-05T12:55:51Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.subject.keywords Hydrogen bonds en
dc.subject.keywords Hydric bonds en
dc.subject.keywords Dihydrogen bonds en
dc.subject.keywords Halogen bonds en
dc.subject.keywords Ion-pi interactions en
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess
dc.identifier.doi https://doi.org/10.1007/s00214-009-0690-1


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