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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019INT1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.65954179; Eh
thumbnail.jpeg2-May-2019INT3noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.80792841; Eh
thumbnail.jpeg2-May-2019TS1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65767668; Eh
thumbnail.jpeg2-May-2019INT7Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.40031510; Eh
thumbnail.jpeg2-May-2019INT1noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.80628508; Eh
thumbnail.jpeg2-May-2019TS2Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65709854; Eh
thumbnail.jpeg2-May-2019H2OBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--76.4089533236; Eh
thumbnail.jpeg2-May-2019INT5noaBesora, MariaGaussian; 09; AM64L-G09RevB.01Geometry optimization MinimumRB3LYP--2680.39005809; Eh
thumbnail.jpeg2-May-2019TS2noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--2756.80206454; Eh
thumbnail.jpeg2-May-2019INT9Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3101.24187895; Eh
Results 1-10 of 31 (Search time: 0.001 seconds).