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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2018/NbK-H TS_NbOOH-cyH_Oalpha_KHSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg16-Feb-2018PCo4_S2_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7086.12012813; Eh
thumbnail.jpeg17-Oct-2017pom2_4Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14558778; Eh
thumbnail.jpeg17-Oct-2017tba_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.025411030; Eh
thumbnail.jpeg17-Oct-2017pom1_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14871761; Eh
thumbnail.jpeg17-Oct-2017pom2_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13415150; Eh
thumbnail.jpeg17-Oct-2017pom2_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14738637; Eh
thumbnail.jpeg17-Oct-2017pom1_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.10527399; 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
Results 31-40 of 130 (Search time: 0.001 seconds).