Computational studies of mechanisms underlying the reactions of enzymatic and nonenzymatic systems
Computational chemistry has been proven to be increasingly helpful and thus important when investigating chemical properties such as chemical reactivity. The hybrid quantum mechanics and molecular mechanics (QM/MM) method that exploits the advantages of both quantum mechanics (QM) and molecular mech...
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| Format: | Thesis |
| Language: | English |
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2017
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| Online Access: | http://hdl.handle.net/10356/72138 |