dc.contributor.author |
Alkorta, Ibon
|
|
dc.contributor.author |
Blanco, Fernando
|
|
dc.contributor.author |
Deyà Serra, Pere Maria
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|
dc.contributor.author |
Elguero, José
|
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dc.contributor.author |
Estarellas Martín, Carolina
|
|
dc.contributor.author |
Frontera Beccaria, Antonio
|
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dc.contributor.author |
Quiñonero Santiago, David
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dc.date.accessioned |
2018-10-05T12:55:51Z |
|
dc.identifier.uri |
http://hdl.handle.net/11201/147975 |
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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 |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1007/s00214-009-0690-1 |
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dc.relation.ispartof |
Theoretical Chemistry Accounts, 2010, vol. 126, num. 1-2, p. 1-14 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
Cooperativity in multiple unusual weak bonds |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
|
dc.date.updated |
2018-10-05T12:55:51Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
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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 |
|