17th Iranian Physical Chemistry Conference , 2014-10-21

Title : ( Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation )

Authors: Aliyeh Mehranfar , Mohammad Izadyar ,

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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;
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@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},
}

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%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

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