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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020IIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.99506948; Eh
thumbnail.jpeg22-Feb-2020cyclohexeneGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-234.674884502; Eh
thumbnail.jpeg22-Feb-2020TScisXVIII_XIX_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2982.3062292; Eh
thumbnail.jpeg22-Feb-2020TSXI_XIII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1692638; Eh
thumbnail.jpeg22-Feb-2020Rh2TFA4_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2324.7002614; Eh
thumbnail.jpeg22-Feb-2020cyclohexene_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-234.7305323; Eh
thumbnail.jpeg22-Feb-2020TSXV_XVIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.29097379; Eh
thumbnail.jpeg22-Feb-2020XIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.31952461; Eh
thumbnail.jpeg22-Feb-2020cis_3aGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-736.311098795; Eh
thumbnail.jpeg22-Feb-20201a_axGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-697.979799219; Eh
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