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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018small_basis_TS-B-5-6-I_NiIMes2_IPh_ossts_fBr_1_t_scanCI_s5t_osstMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-2260.95387479; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-A-5-6-Br_NiITMe2_ha_BrPh_fIMes_fix_t_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-1181.16693544; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-2552.45397196; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-A-5-6-Cl_NiITMe2_ha_ClPh_fIMes_fix_t_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-1628.17471149; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-B-5-6-Cl_NiIMes2_ClPh_fromBr_t_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-2709.73872063; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-D-5-6-Cl_NiIPhen2_oss_ClPh_t_tsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G*-2237.87328143; Eh
thumbnail.jpeg15-Oct-2018TS1_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.21326371; Eh
thumbnail.jpeg15-Oct-2018TS1_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.23116256; Eh
thumbnail.jpeg15-Oct-2018TS2_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.20918379; Eh
thumbnail.jpeg15-Oct-2018TS2_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.20939174; Eh
Results 21-30 of 71 (Search time: 0.002 seconds).