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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Oct-2023Zr6-Cl2-OH_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4093.1969413; 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-2023Zr6-Cl2-(OH)2_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4092.7437765; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)7_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3322.4970672; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)6_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3322.983817; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl3-OHSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4476.07415180; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4476.52711583; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl3_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4477.5984949; Eh
Results 101-108 of 108 (Search time: 0.0 seconds).