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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Sep-2023bp86SP_H3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1746497; Eh
thumbnail.jpeg4-Sep-2023bp86SP_H5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.2013973; Eh
thumbnail.jpeg4-Sep-2023bp86SP_I1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1061.5355617; Eh
thumbnail.jpeg4-Sep-2023bp86SP_I4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1061.5439717; Eh
thumbnail.jpeg4-Sep-2023bp86SP_I5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1061.5416506; Eh
thumbnail.jpeg4-Sep-2023bp86SP_Q1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1956615; Eh
thumbnail.jpeg4-Sep-2023bp86SP_Q4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1993445; Eh
thumbnail.jpeg4-Sep-2023bp86SP_Q7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1929315; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSH1-2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1692341; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSH1-4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1862319; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSI1-5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1061.5156435; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSI4-5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1061.5416327; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSQ1-7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1862942; Eh
thumbnail.jpeg4-Sep-2023bp86SP_TSQ4-7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311+G(D,P) SDD GENECP-1140.1818029; Eh
thumbnail.jpeg7-Feb-2018/BP_Opt/LaPr/Exp ExpGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-
thumbnail.jpeg7-Feb-2018/BP_Opt/LaPr/Inv InvGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-
thumbnail.jpeg7-Feb-2018/BP_Opt/LaPr_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-
thumbnail.jpeg7-Feb-2018/BP_Opt/PrGd/Exp ExpGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-
thumbnail.jpeg7-Feb-2018/BP_Opt/PrGd/Inv/Restart RestartGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-
thumbnail.jpeg7-Feb-2018/BP_Opt/PrGd_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Geometry optimizationDFTTZP-