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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2025EPuggioli, AlessioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-1170.52606828; Eh
thumbnail.jpeg30-Apr-2024E-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.035509; Eh
thumbnail.jpeg27-Jun-2023E-A1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1670.85767620; Eh
thumbnail.jpeg27-Jun-2023E-A2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1670.86300162; Eh
thumbnail.jpeg27-Jun-2023E-A2jpGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2329.56138901; Eh
thumbnail.jpeg27-Jun-2023E-A3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1670.91763541; Eh
thumbnail.jpeg27-Jun-2023E-B1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2015.92439017; Eh
thumbnail.jpeg27-Jun-2023E-B2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2015.91900263; Eh
thumbnail.jpeg27-Jun-2023E-B2jpGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2674.61934277; Eh
thumbnail.jpeg27-Jun-2023E-B3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2015.98219977; Eh
thumbnail.jpeg27-Jun-2023E-C1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1556.32989541; Eh
thumbnail.jpeg27-Jun-2023E-C2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1556.32639500; Eh
thumbnail.jpeg27-Jun-2023E-C2jpGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2215.02597495; Eh
thumbnail.jpeg27-Jun-2023E-C3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1556.38855558; Eh
thumbnail.jpeg27-Jun-2023E-D1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1364.57755178; Eh
thumbnail.jpeg27-Jun-2023E-D2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1364.58400369; Eh
thumbnail.jpeg27-Jun-2023E-D2jpGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-2023.28222962; Eh
thumbnail.jpeg27-Jun-2023E-D3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1364.64221935; Eh
thumbnail.jpeg22-Sep-2023E-eVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1635.66531525; Eh
thumbnail.jpeg27-Jun-2023E-F1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1819.02653959; Eh