DFT studies of dehydrogenation of ammonia-borane catalyzed by [Ir(ItBu')2]+: A proton transfer mechanism

Computational and Theoretical Chemistry

Volumn 1048, Issue , 2014, Pages 1-6

  Ai, Dong Xia ^a   Qi, Zheng Hang ^a   Ruan, Gui Yu ^a   Zhang, Ye ^a   Liu, Wei ^a   Wang, Yong ^a  

^a SOOCHOW UNIVERSITY   (China)

Author keywords

Ammonia borane; Dehydrogenation mechanism; Density functional theory

Indexed keywords

EID: 84907466212     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.08.016     Document Type: Article

References (98)

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