Theoretical Reaction Mechanism for Ammonia Synthesis

In this paper, reaction mechanism of ammonia synthesis is studied using Density Functional Theory method. A model reaction mechanism is chosen from the literature and simulation is carried out for each elementary steps. For this job, Optimization and Frequency calculation were carried out. The outpu...

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主要作者: Mohamad, Nurul Alia
格式: Final Year Project
语言:English
出版: IRC 2015
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在线阅读:http://utpedia.utp.edu.my/16268/1/FYP2_SEP15_DISSERTATION_15607.pdf
http://utpedia.utp.edu.my/16268/
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