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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2023 | CH_Cu100 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -115.85440797; eV | |||
 | 30-Aug-2023 | TS_CO2+CH3 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -146.48638076; eV | |||
 | 30-Aug-2023 | TS_COOH+CHOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -153.12970423; eV | |||
 | 30-Aug-2023 | TS_COOH+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Jun 04 2021 16:39:47) complex | Single point | DFT | - | -142.11928701; eV | |||
 | 30-Aug-2023 | TS_COOH+COH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -148.32738857; eV | |||
 | 30-Aug-2023 | TS_COOH+COOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -156.94450132; eV | |||
 | 30-Aug-2023 | TS_COOH+CHO | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -149.81967065; eV | |||
 | 30-Aug-2023 | TS_CO2+CH2 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -143.33538737; eV | |||
 | 30-Aug-2023 | TS_CO2+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -139.67084025; eV | |||
 | 24-Jul-2023 | H-_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DFT | - | -0.62131075; Eh |
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