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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017adduct-6_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--11502.2845896; Eh
thumbnail.jpeg17-Oct-2017pom2_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13415150; Eh
thumbnail.jpeg17-Oct-2017pom1_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.17149045; Eh
thumbnail.jpeg17-Oct-2017pom2_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14416347; Eh
thumbnail.jpeg17-Oct-2017pom1_5Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13259707; Eh
thumbnail.jpeg17-Oct-2017pom2_4Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14558778; Eh
thumbnail.jpeg17-Oct-2017tba_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.026550534; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-intra-prima_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4484.7455364; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-inter-prima_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2315667; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-inter_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2262938; Eh
Results 41-50 of 69 (Search time: 0.001 seconds).