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First principles investigation of the stability and the chemical behavior of hydrogen in ThCoH<sub>4</sub>
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | MATAR, Samir F. | |
dc.date.issued | 2011 | |
dc.identifier.issn | 0932-0776 | |
dc.description.abstractEn | We address the changes in the electronic structure brought by the insertion of hydrogen into ThCo leading to the experimentally observed ThCoH<sub>4</sub>. Full geometry optimization positions the hydrogen in three sites stabilized in the expanded intermetallic matrix... | |
dc.language.iso | en | |
dc.publisher | Verlag der Zeitschrift Fuer Naturforschung | |
dc.title.en | First principles investigation of the stability and the chemical behavior of hydrogen in ThCoH<sub>4</sub> | |
dc.type | Article de revue | |
dc.identifier.doi | 10.5560/ZNB.2011.66b0269 | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Zeitschrift fur Naturforschung B | |
bordeaux.page | 269-274 | |
bordeaux.volume | 66 | |
bordeaux.issue | 3 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-00580424 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-00580424v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Zeitschrift%20fur%20Naturforschung%20B&rft.date=2011&rft.volume=66&rft.issue=3&rft.spage=269-274&rft.epage=269-274&rft.eissn=0932-0776&rft.issn=0932-0776&rft.au=MATAR,%20Samir%20F.&rft.genre=article |
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