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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--76.375859; Eh
thumbnail.jpeg2-May-2019INT1noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure---
thumbnail.jpeg2-May-2019catalyst_H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2024.4089164; Eh
thumbnail.jpeg2-May-2019cat5_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9030306; Eh
thumbnail.jpeg2-May-2019cat10_TS4synsi_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5204005; Eh
thumbnail.jpeg2-May-2019INT7Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.40031510; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9072865; Eh
thumbnail.jpeg2-May-2019INT3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0277387; Eh
thumbnail.jpeg2-May-2019TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0118944; Eh
thumbnail.jpeg2-May-2019INT10_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7634103; Eh
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