作者: Kasturi Ganguli , Sujan Shee , Dibyajyoti Panja , Sabuj Kundu
DOI: 10.1039/C8DT05001E
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摘要: … 3 Calculated Gibb's free energies (kcal mol −1 ) for transfer hydrogenation of acetophenone following the outer-sphere pathway (hybrid functional, M062X was used with the LANL2DZ …