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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020TScisVI_VIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27969006; Eh
thumbnail.jpeg22-Feb-2020TSVII_VIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.28845798; Eh
thumbnail.jpeg22-Feb-2020XIXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.43050586; Eh
thumbnail.jpeg22-Feb-2020XIVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.33694360; Eh
thumbnail.jpeg22-Feb-2020TScisVI_VII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1834449; Eh
thumbnail.jpeg22-Feb-2020TSVII_VIII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.1927065; Eh
thumbnail.jpeg22-Feb-2020XIV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2353749; Eh
thumbnail.jpeg22-Feb-2020XIX_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2982.3123692; Eh
thumbnail.jpeg22-Feb-2020TSXII_XIVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27408989; Eh
thumbnail.jpeg22-Feb-2020TSXII_XVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.26941200; Eh
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