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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
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-2019reactant_SBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--731.867010301; Eh
thumbnail.jpeg2-May-2019INT10Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.67635251; Eh
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