Computational studies of catalysis: bioinorganic, inorganic, and organometallic chemistry
<p>As a reliable, convenient, and advantageous tool in the theoretical investigations of bioorganic, inorganic, and organometallic chemistry, density functional theory (DFT) computations have provided chemists with numerous significant insights. The understanding of mechanisms of chemical reac...
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| Format: | Others |
| Language: | en |
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MSSTATE
2018
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| Online Access: | http://sun.library.msstate.edu/ETD-db/theses/available/etd-05222018-103812/ |