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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018large_basis_A-4-Cl_trans-NiClPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1628.59992083; Eh
thumbnail.jpeg30-Aug-2018large_basis_A-3-Cl_cis-NiClPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1628.59300135; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-3x-Cl_NiClPhIMes_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1785.87643322; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-5-I_NiIMes2_IPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2261.50773286; Eh
thumbnail.jpeg30-Aug-2018large_basis_NiCODITMe_NiCODITMe_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-865.091088505; Eh
thumbnail.jpeg30-Aug-2018large_basis_NiCODIXy_NiCODIXy_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1327.34590008; Eh
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