dc.contributor.author |
Bauza Riera, Antonio
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dc.contributor.author |
Deyà Serra, Pere Maria
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dc.contributor.author |
Frontera Beccaria, Antonio
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dc.contributor.author |
Quiñonero Santiago, David
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dc.date.accessioned |
2018-09-20T07:04:51Z |
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dc.date.available |
2018-09-20T07:04:51Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/147519 |
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dc.description.abstract |
[eng] The controversial proposal that substituent effects in cation-p interactions can be attributed mainly to electrostatic effects between the ion and local dipoles has been theoretically studied by analyzing 171 aromatics interacting with Na+. Our results stress the importance of both electrostatic and p-polarization effects to properly describe cation-p interactions |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1039/C3CP54147A |
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dc.relation.ispartof |
Physical Chemistry Chemical Physics, 2014, vol. 16, num. 4, p. 1322-1326 |
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dc.rights |
(c) Bauza Riera, Antonio et al., 2014 |
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dc.subject.classification |
Química |
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dc.subject.other |
Chemistry |
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dc.title |
Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2018-09-20T07:04:52Z |
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dc.rights.accessRights |
info:eu-repo/semantics/openAccess |
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dc.identifier.doi |
https://doi.org/10.1039/C3CP54147A |
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