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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Oct-2018V-oxo_1e_distorted_re-optSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p)-4815.59945169; Eh
thumbnail.jpeg11-Mar-20243Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1342.86899793; Eh
thumbnail.jpeg11-Mar-20244Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1342.94248630; Eh
thumbnail.jpeg11-Mar-2024Li2-4Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1358.00437267; Eh
thumbnail.jpeg11-Mar-2024CuPS-reducedSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3572.36523688; Eh
thumbnail.jpeg11-Mar-2024Li2-3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1357.88234111; Eh
thumbnail.jpeg11-Mar-2024feIII-clSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1614.41007631; Eh
thumbnail.jpeg11-Mar-2024Li3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1350.37852772; Eh
thumbnail.jpeg11-Mar-20241Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1154.18048951; Eh
thumbnail.jpeg11-Mar-2024Li2Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1161.79526451; Eh
Results 1-10 of 17 (Search time: 0.001 seconds).