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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018large_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2710.32684219; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2238.31537306; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2710.30413986; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-6-Cl_NiClIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2478.70682012; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-6-Br_NiBrIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2031.65228445; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-6-Cl_NiClITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-1396.87288804; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-6-I_NiIITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-948.038890059; Eh
Results 41-47 of 47 (Search time: 0.001 seconds).