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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019H2OBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--76.4089533236; Eh
thumbnail.jpeg2-May-2019TS3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.5831148; Eh
thumbnail.jpeg2-May-2019INT5noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6112315; Eh
thumbnail.jpeg2-May-2019INT12_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.75125; Eh
thumbnail.jpeg2-May-2019INT1_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7435794; Eh
thumbnail.jpeg2-May-2019INT5noaBesora, MariaGaussian; 09; AM64L-G09RevB.01Geometry optimization MinimumRB3LYP--2680.39005809; Eh
thumbnail.jpeg2-May-2019INT1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.65954179; Eh
thumbnail.jpeg2-May-2019catalyst_H2OBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2024.97317164; Eh
thumbnail.jpeg2-May-2019INT3_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7381856; Eh
thumbnail.jpeg2-May-2019INT2_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7438689; Eh
Results 51-60 of 110 (Search time: 0.001 seconds).