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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020TSXV_XVII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1984433; Eh
thumbnail.jpeg22-Feb-2020XI_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2202663; Eh
thumbnail.jpeg22-Feb-2020cis_3a_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-736.4879749; Eh
thumbnail.jpeg22-Feb-20201a_ax_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-698.1454749; Eh
thumbnail.jpeg22-Feb-20201a_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-698.1478887; Eh
thumbnail.jpeg22-Feb-2020TSVIII_XGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.29164633; Eh
thumbnail.jpeg22-Feb-20202aGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-388.521858827; Eh
thumbnail.jpeg22-Feb-2020styreneGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-309.673002005; Eh
thumbnail.jpeg22-Feb-20201aGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-697.981886190; Eh
thumbnail.jpeg22-Feb-2020TSII_III_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8638391; Eh
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