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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| Main Author: | |
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| Format: | Final Year Project |
| Language: | English |
| Published: |
IRC
2015
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| Subjects: | |
| Online Access: | http://utpedia.utp.edu.my/16268/1/FYP2_SEP15_DISSERTATION_15607.pdf http://utpedia.utp.edu.my/16268/ |
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