DFT investigation on the mechanism of catalytic reaction between 3-diazoindolin-2-imines and N-ethylaniline catalyzed by Rh2(Oct)4
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DOI: 10.1016/j.chemphys.2019.110661
Abstract: Abstract The mechanisms between 3-diazoindolin-2-imines and N-ethylaniline catalyzed by Rh2(Oct)4 have been investigated using M06-L-D3 method with 6-31+G(d,p) basis set for nonmetallic elements and SDD basis set for Rh atom, and the SMD model was… read more here.
Keywords: diazoindolin imines; rh2; rh2 oct; ethylaniline catalyzed ... See more keywords