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Ministerio de Ciencia e Innovaci贸n (Espanya)
Ministerio de Econom铆a y Competitividad (Espanya) Generalitat de Catalunya. Ag猫ncia de Gesti贸 d鈥橝juts Universitaris i de Recerca |
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Postils Rib贸, Ver貌nica
Garcia Borr脿s, Marc Sol脿 i Puig, Miquel Luis Luis, Josep Maria Matito i Gras, Eduard |
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2015 February 12 | |
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) | |
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 | |
Anions
Electrons |
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On the existence and characterization of molecular electrides | |
info:eu-repo/semantics/article | |
DUGiDocs |