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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020VIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.28018714; Eh
thumbnail.jpeg22-Feb-2020cis_6García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-657.463720412; Eh
thumbnail.jpeg22-Feb-2020TSXII_XIV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1789993; Eh
thumbnail.jpeg22-Feb-2020TSXII_XV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1764996; Eh
thumbnail.jpeg22-Feb-2020VI_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1838732; Eh
thumbnail.jpeg22-Feb-2020II_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8816734; Eh
thumbnail.jpeg22-Feb-2020cis_6_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-657.6206973; Eh
thumbnail.jpeg22-Feb-2020TScisXVIII_XIXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.42369636; Eh
thumbnail.jpeg22-Feb-2020TSXI_XIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.26419493; Eh
thumbnail.jpeg22-Feb-2020Rh2TFA4García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2323.96839904; Eh
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