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 | C_Cu100 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -111.84747725; eV | ||||
30-Aug-2023 | CH2_Cu100 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -119.38908952; eV | ||||
30-Aug-2023 | CH3_Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -123.34841809; eV | ||||
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 | CHO_Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -123.45155449; eV | ||||
30-Aug-2023 | CHOH_Cu100 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -126.41309396; eV | ||||
30-Aug-2023 | CO2_Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -128.60264799; eV | ||||
30-Aug-2023 | CO_Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -120.35139489; eV | ||||
30-Aug-2023 | COH_Cu100 | Lin, Wen-Yu | vasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complex | Single point | DFT | - | -122.40208386; eV | ||||
30-Aug-2023 | COOH_Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -131.21799107; eV | ||||
30-Aug-2023 | Cu100 | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -104.03477137; eV | ||||
30-Aug-2023 | Product_CO+C | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -129.73698787; eV | ||||
30-Aug-2023 | Product_CO+CH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -132.50970330; 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 | ||||
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+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_CO+CHOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -143.45746059; 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+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+COOH | Lin, Wen-Yu | vasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complex | Single point | DFT | - | -147.34344083; eV |