Computational Chemistry and Catalysis: Prediction and Design
The combination of computational chemistry and catalysis is an insightful approach that can be utilized to predict and design a catalyst, its function and the outcome of the catalytic chemical reaction that this catalyst activates in terms of activity, selectivity and applications [...]
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-05-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/13/5/839 |
| Summary: | The combination of computational chemistry and catalysis is an insightful approach that can be utilized to predict and design a catalyst, its function and the outcome of the catalytic chemical reaction that this catalyst activates in terms of activity, selectivity and applications [...] |
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| ISSN: | 2073-4344 |