17th Iranian Physical Chemistry Conference , 2014-10-21
Title : ( Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation )
Authors: Aliyeh Mehranfar , Mohammad Izadyar ,Access to full-text not allowed by authors
Abstract
Hydrogenation kinetics and mechanism of NEC was studied. The hydrogenation is performed step by step and the third hydrogenation stage is rate-determining step. Moreover, some analysis on the obtained TSs and reaction mechanism have been presented.