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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Oct-2023Zr6-P_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4049.1213623; Eh
thumbnail.jpeg11-Oct-2023Zr6-Pplus_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4049.5449515; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS2_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2321537; Eh
thumbnail.jpeg11-Oct-2023Zr6-I-intra-w_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2369911; Eh
thumbnail.jpeg11-Oct-2023Zr6-I-intra_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4484.7682262; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-intra_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4484.762703; Eh
thumbnail.jpeg11-Oct-2023Zr6-S_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4484.7785039; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)3_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3324.3921983; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl3-OH_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4477.1478733; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)4_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3323.9340236; Eh
Results 31-40 of 48 (Search time: 0.001 seconds).