DFT study and Monte Carlo simulation on the aminolysis of XC(O)OCH 3 (X = NH2, H, and CF3) with monomeric and dimeric ammonias

Journal of Chemical Theory and Computation

Volumn 4, Issue 10, 2008, Pages 1643-1653

  Xia, Xuefei ^a   Zhang, Chenghua ^a   Xue, Ying ^a,b   Kim, Chan Kyung ^c   Yan, Guosen ^a  

^a China   (China)

^b SICHUAN UNIVERSITY   (China)

^c Inha University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 58149142931     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct800099a     Document Type: Article

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