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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Oct-2023Zr-Cl-(OH)3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3707.28062582; 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)3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3323.34277224; Eh
thumbnail.jpeg11-Oct-2023Zr-(OH)4Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3322.88199105; Eh
thumbnail.jpeg11-Oct-2023Zr6-Cl2-(OH)2Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4091.67731538; 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-Mar-2024hteoa_cationSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-518.578893551; Eh
thumbnail.jpeg11-Mar-2024teoaSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-518.095253338; Eh
thumbnail.jpeg11-Mar-2024CuPSSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3572.27994488; Eh
Results 31-40 of 47 (Search time: 0.001 seconds).