期刊
CHEMICAL COMMUNICATIONS
卷 51, 期 23, 页码 4865-4868出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc00215j
关键词
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资金
- EU under the Marie Curie Career Integration grant [PCI09-GA-2011-294240]
- Spanish MINECO Europa Excelencia project [CTQ2013-41236-ERC]
- Spanish MICINN Project [CTQ2011-23156/BQU]
- FEDER grant (European Fund for Regional Development) [UNGI08-4E-003]
- Generalitat de Catalunya (Xarxa de Referencia en Quimica Teorica i Computaciona) [2014SGR931]
- Generalitat de Catalunya (ICREA 2014 prize)
- [AP2010-2517]
- [BES-2012-052801]
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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