The Adsorption of Small Molecules on the Copper Paddle-Wheel: Influence of the Multi-Reference Ground State
We report a theoretical study of the adsorption of a set of small molecules (C<sub>2</sub>H<sub>2</sub>, CO, CO<sub>2</sub>, O<sub>2</sub>, H<sub>2</sub>O, CH<sub>3</sub>OH, C<sub>2</sub>H<sub>5</sub>OH)...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/27/3/912 |