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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat9_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6601937; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6595691; Eh
thumbnail.jpeg2-May-2019INT5noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6112315; Eh
thumbnail.jpeg2-May-2019cat8_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.39076685; Eh
thumbnail.jpeg2-May-2019TS4_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6138424; Eh
thumbnail.jpeg2-May-2019INT1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.65954179; Eh
thumbnail.jpeg2-May-2019cat8_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5504135; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5476735; Eh
thumbnail.jpeg2-May-2019cat7_TS4antire_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2370.7709949; Eh
thumbnail.jpeg2-May-2019cat4_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2766.58923183; Eh
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