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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.82507113; Eh
thumbnail.jpeg11-Feb-2022Me2PhSiH_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-601.769459; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00649053; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00324422; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4103607; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-1011.75573636; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4070494; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-204.218252636; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-651.270498256; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1938.39657373; Eh
Results 1-10 of 6445 (Search time: 0.002 seconds).