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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2023 | Product_COOH+CH2 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Jun 04 2021 16:39:47) complex | Single point | DFT | - | -147.17465699; eV | |||
 | 30-Aug-2023 | Product_COOH+CH3 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -150.42707553; eV | |||
 | 30-Aug-2023 | Product_COOH+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Jun 04 2021 16:39:47) complex | Single point | DFT | - | -143.63094729; eV | |||
 | 30-Aug-2023 | Product_CO+COOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -147.34344083; eV | |||
 | 30-Aug-2023 | Product_CO+CHO | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -139.69237042; eV | |||
 | 30-Aug-2023 | Product_COOH+C | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -140.65319341; eV | |||
 | 30-Aug-2023 | Product_CO+COH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -140.15690542; eV | |||
 | 30-Aug-2023 | Product_CO+CO | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -137.31439125; eV | |||
 | 30-Aug-2023 | Product_CO+CH3 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -139.61647635; eV | |||
 | 30-Aug-2023 | Product_CO+CH2 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -136.26898861; eV |
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- 63 Single point
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- 63 DFT