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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019INT4noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6154596; Eh
thumbnail.jpeg2-May-2019cat7_TS4antireBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2370.60681964; Eh
thumbnail.jpeg2-May-2019INT4_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3100.3282563; Eh
thumbnail.jpeg2-May-2019INT3noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.80792841; Eh
thumbnail.jpeg2-May-2019H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--76.375859; Eh
thumbnail.jpeg2-May-2019INT1noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure---
thumbnail.jpeg2-May-2019catalyst_H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2024.4089164; Eh
thumbnail.jpeg2-May-2019cat5_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9030306; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2601.48132812; Eh
thumbnail.jpeg2-May-2019cat10_TS4synsi_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5204005; Eh
Results 11-20 of 110 (Search time: 0.002 seconds).