Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg11-Oct-2023Zr-Cl-(OH)3_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3708.339947; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl-(OH)2_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-3708.7949656; 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-Cl2-OH_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4093.1969413; Eh
Results 11-20 of 22 (Search time: 0.001 seconds).

Discover

Program name