H2 desorption from LiH cluster and NH3 molecule studied by ab initio molecular dynamics simulation

Journal of Molecular Structure: THEOCHEM

Volumn 944, Issue 1-3, 2010, Pages 137-145

  Yamane, Aki ^a   Shimojo, Fuyuki ^b   Hoshino, Kozo ^a   Ichikawa, Takayuki ^a   Kojima, Yoshitsugu ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

Ab initio molecular dynamics; Ammonia; Hydrogen storage; Lithium amide; Lithium hydride; Reaction

Indexed keywords

EID: 76749134024     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.12.039     Document Type: Article

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