Title : ( Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation )
Authors: Aliyeh Mehranfar , Mohammad Izadyar ,
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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.
Keywords
Hydrogen storage; Mechanism; Organic liquids; rate determining step; DFT
@inproceedings{paperid:1043888,
author = {Mehranfar, Aliyeh and Izadyar, Mohammad},
title = {Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation},
booktitle = {17th Iranian Physical Chemistry Conference},
year = {2014},
location = {Tehran, IRAN},
keywords = {Hydrogen storage; Mechanism; Organic liquids; rate determining step; DFT},
}
%0 Conference Proceedings
%T Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation
%A Mehranfar, Aliyeh
%A Izadyar, Mohammad
%J 17th Iranian Physical Chemistry Conference
%D 2014
