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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019INT12Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.65384282; Eh
thumbnail.jpeg2-May-2019INT2Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.67387630; Eh
thumbnail.jpeg2-May-2019INT6Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2680.39011836; Eh
thumbnail.jpeg2-May-2019TS4Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB3LYP--2680.38598013; Eh
thumbnail.jpeg2-May-2019TS3Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg2-May-2019reactant_SBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--731.867010301; Eh
thumbnail.jpeg2-May-2019TS3noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.36315637; Eh
thumbnail.jpeg2-May-2019TS5Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.66415492; Eh
thumbnail.jpeg2-May-2019TS1noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB3LYP--2756.80455806; Eh
thumbnail.jpeg2-May-2019INT10Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.67635251; Eh
Results 21-30 of 31 (Search time: 0.0 seconds).