Browsing by Author Lin, Wen-Yu
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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_CO2+C | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -138.06574446; eV | |||
 | 30-Aug-2023 | Product_CO2+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -141.79052591; eV | |||
 | 30-Aug-2023 | Product_CO2+CH2 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -144.71904186; eV | |||
 | 30-Aug-2023 | Product_CO2+CH3 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -148.30647285; eV | |||
 | 30-Aug-2023 | Product_CO2+CHO | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -147.67095776; eV | |||
 | 30-Aug-2023 | Product_CO2+CHOH | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -151.12481069; eV | |||
 | 30-Aug-2023 | Product_CO2+CO | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -145.11462609; eV | |||
 | 30-Aug-2023 | Product_CO2+COH | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -148.62097437; eV | |||
 | 30-Aug-2023 | Product_CO2+COOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -155.57853812; 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_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_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+CHO | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -150.95732152; eV | |||
 | 30-Aug-2023 | Product_COOH+CHOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -154.63093504; eV | |||
 | 30-Aug-2023 | Product_COOH+COH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -149.71692006; eV | |||
 | 30-Aug-2023 | Product_COOH+COOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -158.31317388; eV | |||
 | 30-Aug-2023 | TS_CO+C | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -127.66156776; eV | |||
 | 30-Aug-2023 | TS_CO+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -131.75957914; eV | |||
 | 30-Aug-2023 | TS_CO+CH2 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -135.38592486; eV |