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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat4_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2766.7696582; Eh
thumbnail.jpeg2-May-2019INT4_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3100.3282563; Eh
thumbnail.jpeg2-May-2019TS5_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7438073; Eh
thumbnail.jpeg2-May-2019reactant_S_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--731.6209519; Eh
thumbnail.jpeg2-May-2019TS1_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7359402; Eh
thumbnail.jpeg2-May-2019INT7_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6219898; Eh
thumbnail.jpeg2-May-2019INT8_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6268363; Eh
thumbnail.jpeg2-May-2019INT8Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.38929248; Eh
thumbnail.jpeg2-May-2019H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--76.375859; Eh
thumbnail.jpeg2-May-2019INT3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0277387; Eh
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