DUGiDocsOn the existence and characterization of molecular electrides
dc.contributor.author
dc.date.accessioned
2015-10-22T07:42:02Z
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2015-10-22T07:42:02Z
dc.date.issued
2015-02-12
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1359-7345
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dc.description.abstract
Electrides are ionic compounds thus far appearing in the solid state, where the anionic part is constituted by isolated electrons. We herein provide an unambiguous computational means to distinguish electrides from similar species, proving the existence of some electrides in the gas phase. We also put forward a recipe to design new electrides
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application/pdf
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eng
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Royal Society of Chemistry (RSC)
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info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MINECO//CTQ2013-41236-ERC/ES/UNA NUEVA ESTRATEGIA EN DFT: FUNCIONALES HIBRIDOS ADAPTADOS A LA CORRELACION ELECTRONICA/
AGAUR/2014-2016/2014 SGR-931
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Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c5cc00215j
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© Chemical Communications, 2015, núm. 23, vol. 51, p. 4865-4868
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Articles publicats (D-Q)
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Tots els drets reservats
dc.title
On the existence and characterization of molecular electrides
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info:eu-repo/semantics/article
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info:eu-repo/semantics/embargoedAccess
dc.embargo.terms
Cap
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info:eu-repo/date/embargoEnd/2026-01-01
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info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT
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info:eu-repo/semantics/publishedVersion
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