Ítem
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Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Economía y Competitividad (Espanya) Generalitat de Catalunya. Agència de Gestió d’Ajuts Universitaris i de Recerca |
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Postils Ribó, Verònica
Garcia Borràs, Marc Solà i Puig, Miquel Luis Luis, Josep Maria Matito i Gras, Eduard |
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| 12 febrer 2015 | |
| 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 | |
| application/pdf | |
| http://hdl.handle.net/10256/11362 | |
| eng | |
| Royal Society of Chemistry (RSC) | |
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info:eu-repo/semantics/altIdentifier/doi/10.1039/c5cc00215j info:eu-repo/semantics/altIdentifier/issn/1359-7345 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 info:eu-repo/grantAgreement/EC/FP7/294240/EU/Development of new non-empirical DFT functionals./NEWDFTFUNCT |
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| Tots els drets reservats | |
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Anions
Electrons |
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| On the existence and characterization of molecular electrides | |
| info:eu-repo/semantics/article | |
| DUGiDocs |
