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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018large_basis_B-3-Cl_tetNiClPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2710.38226377; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-3-Br_tetNiBrPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2263.32738065; Eh
thumbnail.jpeg30-Aug-2018large_basis_C-2-Cl_NiIXy2_e2PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2552.99589044; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-5-I_NiITMe2_IPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1179.66794041; Eh
thumbnail.jpeg30-Aug-2018large_basis_IPhen_IPhen_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-688.496357545; Eh
thumbnail.jpeg30-Aug-2018large_basis_IXy_IXy_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-845.819164274; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-D-2-3-Cl_NiIPhen_oats_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2238.36769712; Eh
thumbnail.jpeg30-Aug-2018large_basis_COD_COD_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-312.138936653; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-B-2x-3x-Cl_NiIMes_PhCl_OATS_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1785.79704549; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-1_NiITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-936.542798241; Eh
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