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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-1885.97907013; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26380.063254; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26380.0667085; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_HNSi_s_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-2487.80411952; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_HNSi_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-2487.80218887; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_HNSi_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26982.0090722; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_HNSi_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26982.0074691; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/b3lyp_6311dp TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-712.519524070; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/b3lyp/solution TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPCC-PVTZ-559.563968031; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/b3lyp/solution TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPCC-PVTZ-849.998025454; Eh
Results 11-20 of 282 (Search time: 0.0 seconds).