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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018large_basis_A-4-I_trans-NiIPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1179.76388985; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-3-I_cis-NiIPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1179.75532412; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-2-I_NiIMes2_eta2_PhI_fixCI_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2261.48146788; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-5-Cl_NiITMe2_ClPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1628.49916775; Eh
thumbnail.jpeg30-Aug-2018large_basis_D-4-Cl_trans-NiClPhIPhen2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2238.44772474; Eh
thumbnail.jpeg30-Aug-2018large_basis_NiIMes2_distort_NiIMes2_eta2_PhCl_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2018.31962356; Eh
thumbnail.jpeg30-Aug-2018large_basis_ITMe_ITMe_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-383.575486154; Eh
thumbnail.jpeg30-Aug-2018large_basis_NiIMes2_distort_NiIMes2_eta2_PhBr_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2018.31733565; Eh
thumbnail.jpeg30-Aug-2018large_basis_C-4-Cl_transNiClPhIXy2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2553.09435403; Eh
thumbnail.jpeg30-Aug-2018large_basis_C-5-Cl_NiIXy2_ClPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2553.01330102; Eh
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