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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2023Product_CO2+CHLin, Wen-Yuvasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complexSingle pointDFT--141.79052591; eV
thumbnail.jpeg30-Aug-2023Product_CO2+CLin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--138.06574446; eV
thumbnail.jpeg30-Aug-2023CHOH_Cu100Lin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--126.41309396; eV
thumbnail.jpeg30-Aug-2023CHO_Cu100Lin, Wen-Yuvasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complexSingle pointDFT--123.45155449; eV
thumbnail.jpeg30-Aug-2023CH2_Cu100Lin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--119.38908952; eV
thumbnail.jpeg30-Aug-2023CO_Cu100Lin, Wen-Yuvasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complexSingle pointDFT--120.35139489; eV
thumbnail.jpeg30-Aug-2023COH_Cu100Lin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--122.40208386; eV
thumbnail.jpeg30-Aug-2023CH_Cu100Lin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--115.85440797; eV
thumbnail.jpeg30-Aug-2023C_Cu100Lin, Wen-Yuvasp; 5.3.5; 31Mar14 (build Nov 26 2017 16:10:14) complexSingle pointDFT--111.84747725; eV
thumbnail.jpeg30-Aug-2023TS_CO2+CHOHLin, Wen-Yuvasp; 6.1.1; 19Jun20 (build Apr 08 2021 18:37:00) complexSingle pointDFT--151.17924330; eV
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