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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019INT5Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3101.23415469; Eh
thumbnail.jpeg2-May-2019INT4Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--3101.23725648; Eh
thumbnail.jpeg2-May-2019INT8Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.38929248; Eh
thumbnail.jpeg2-May-2019catalyst_H2OBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2024.97317164; Eh
thumbnail.jpeg2-May-2019INT4noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2680.38656520; Eh
thumbnail.jpeg2-May-2019INT3Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.66599070; Eh
thumbnail.jpeg2-May-2019productBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--731.864000668; Eh
thumbnail.jpeg2-May-2019INT2noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.83655114; Eh
thumbnail.jpeg2-May-2019acidBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--420.822148679; Eh
thumbnail.jpeg2-May-2019INT11Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.68819147; Eh
Results 11-20 of 31 (Search time: 0.0 seconds).