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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2022/model_system FlactDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-2638.5101802; Eh
thumbnail.jpeg15-Feb-2022/model_system BDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3141.5444712; Eh
thumbnail.jpeg15-Feb-2022/model_system CDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3141.542639; Eh
thumbnail.jpeg15-Feb-2022/model_system styreneDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-503.019459; Eh
thumbnail.jpeg15-Feb-2022/model_system TS-HLlactDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-2717.1337025; Eh
thumbnail.jpeg15-Feb-2022/model_system LlactDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-2717.149328; Eh
thumbnail.jpeg15-Feb-2022/model_system lactoneDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-658.143288; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-495.273143834; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-br-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-281.791231265; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-c6h5-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-500.212680738; Eh
Results 6861-6870 of 9919 (Search time: 0.01 seconds).