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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017adduct-3_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3965050; Eh
thumbnail.jpeg17-Oct-2017adduct-2_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3963789; Eh
thumbnail.jpeg17-Oct-2017adduct-4_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--11502.2976137; Eh
thumbnail.jpeg17-Oct-2017pom1_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.19262679; Eh
thumbnail.jpeg17-Oct-2017pom1_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.10527399; Eh
thumbnail.jpeg17-Oct-2017tba_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.015050513; Eh
thumbnail.jpeg17-Oct-2017pom2_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14416347; Eh
thumbnail.jpeg14-May-2018/NbK-H NbOH_KHSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg14-May-2018/NbK-H NbOO_KHSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg17-Oct-2017adduct-1_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3522632; Eh
Results 31-40 of 47 (Search time: 0.001 seconds).