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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019reactant_SBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--731.867010301; Eh
thumbnail.jpeg2-May-2019TS1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65767668; Eh
thumbnail.jpeg2-May-2019TS2Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65709854; Eh
thumbnail.jpeg2-May-2019INT8Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.38929248; Eh
thumbnail.jpeg2-May-2019INT10Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.67635251; Eh
thumbnail.jpeg2-May-2019H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--76.375859; Eh
thumbnail.jpeg2-May-2019INT3noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.80792841; Eh
thumbnail.jpeg2-May-2019INT3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0277387; Eh
thumbnail.jpeg2-May-2019TS5Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.66415492; Eh
thumbnail.jpeg2-May-2019TS3_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3100.3092917; Eh
Results 31-40 of 110 (Search time: 0.001 seconds).