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On the existence and characterization of molecular electrides

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

Royal Society of Chemistry (RSC)

Manager: 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
Author: Postils Rib贸, Ver貌nica
Garcia Borr脿s, Marc
Sol脿 i Puig, Miquel
Luis Luis, Josep Maria
Matito i Gras, Eduard
Date: 2015 February 12
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
Format: application/pdf
Document access: http://hdl.handle.net/10256/11362
Language: eng
Publisher: Royal Society of Chemistry (RSC)
Collection: 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
Rights: Tots els drets reservats
Subject: Anions
Electrons
Title: On the existence and characterization of molecular electrides
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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