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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020IV_star_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8539781; Eh
thumbnail.jpeg22-Feb-2020XVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.30866665; Eh
thumbnail.jpeg22-Feb-2020TS1Aeq_S1eq_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-698.1287827; Eh
thumbnail.jpeg22-Feb-2020XIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.32677951; Eh
thumbnail.jpeg22-Feb-2020XXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.47287932; Eh
thumbnail.jpeg22-Feb-2020TStransVI_VIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27161517; Eh
thumbnail.jpeg22-Feb-2020TS1Aeq_S1eqGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D,P) GENECP-697.966174428; Eh
thumbnail.jpeg22-Feb-2020XV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2116815; Eh
thumbnail.jpeg22-Feb-2020XX_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2982.35044; Eh
thumbnail.jpeg22-Feb-2020TStransVI_VIII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1746719; Eh
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