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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2022/model_system TS-FGlactDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-2638.4959369; Eh
thumbnail.jpeg15-Feb-2022/model_system TS-EFlactDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-2638.5077286; Eh
thumbnail.jpeg15-Feb-2022/model_system TS-BCDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3141.5184807; Eh
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
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