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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS2_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7293936; Eh
thumbnail.jpeg2-May-2019product_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--731.6337779; Eh
thumbnail.jpeg2-May-2019INT6_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6157577; Eh
thumbnail.jpeg2-May-2019INT6Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2680.39011836; Eh
thumbnail.jpeg2-May-2019productBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--731.864000668; Eh
thumbnail.jpeg2-May-2019INT7Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.40031510; Eh
thumbnail.jpeg2-May-2019TS2noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0141772; Eh
thumbnail.jpeg2-May-2019INT11Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.68819147; Eh
thumbnail.jpeg2-May-2019INT4noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6154596; Eh
thumbnail.jpeg2-May-2019INT4noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2680.38656520; Eh
Results 71-80 of 110 (Search time: 0.001 seconds).