TY - JOUR T1 - DFT Study of the Catalytic Mechanism for Urethane Formation in the Presence of Basic Catalyst 1,4-Diazabicyclo[2.2.2]Octane JO - Communications in Computational Chemistry VL - 1 SP - 22 EP - 35 PY - 2014 DA - 2014/02 SN - 2 DO - http://doi.org/10.4208/cicc.2014.v2.n1.3 UR - https://global-sci.org/intro/article_detail/cicc/354.html KW - MeNCO, 2,4‐TDI, DABCO, Urethane Formation, DFT. AB -