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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020XGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.32443088; Eh
thumbnail.jpeg22-Feb-2020X_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2219364; Eh
thumbnail.jpeg22-Feb-2020BGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3101.08521231; Eh
thumbnail.jpeg22-Feb-2020B_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3102.0009228; Eh
thumbnail.jpeg22-Feb-20204García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-620.575263942; Eh
thumbnail.jpeg22-Feb-20204_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-620.7222223; Eh
thumbnail.jpeg22-Feb-2020VGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.98855971; Eh
thumbnail.jpeg22-Feb-2020V_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8770152; Eh
thumbnail.jpeg22-Feb-2020A_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3721.0549499; Eh
thumbnail.jpeg22-Feb-2020TSXII_XVIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27316262; Eh
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