Catalysts screening, optimization and mechanism studies of dimethylhexane-1,6-dicarbamate synthesis from 1,6-hexanediamine and dimethyl carbonate over Mn(OAc)2 catalyst
Keywords: DFT; Density Functional Theory; DMC; dimethyl carbonate; DNP; doubled numerical basis set with a set of polarization functions; FID; flame ionization detector; GC-MS; gas chromatography-mass spectrometry; HDA; 1,6-hexanediamine; HDC; dimethylhexane-1,