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-PminusSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4047.47145428; Eh
thumbnail.jpeg11-Oct-2023Zr6-PSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4047.94168989; Eh
thumbnail.jpeg11-Oct-2023Zr6-PplusSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4048.36718417; Eh
thumbnail.jpeg11-Oct-2023Zr6-I-intra-wSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4559.92083897; Eh
thumbnail.jpeg11-Oct-2023Zr6-I-intraSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4483.47994165; Eh
thumbnail.jpeg11-Oct-2023Zr6-SSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4483.49127885; Eh
thumbnail.jpeg11-Oct-2023Zr-Cl2-OHSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4092.13299451; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)7Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3321.43383732; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)5Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3322.40547471; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)6Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3321.92511941; Eh
Results 1-10 of 17 (Search time: 0.0 seconds).

Discover

Subject