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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg30-Aug-2018large_basis_NiCOD2_NiCOD2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-793.668115087; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2263.28344836; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2552.99075166; Eh
thumbnail.jpeg30-Aug-2018large_basis_D-2-Cl_NiIPhen2_e2_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2238.36781748; Eh
thumbnail.jpeg30-Aug-2018large_basis_NiIMes2_distort_NiIMes2_eta2_PhI_fixCI_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-2018.31627941; Eh
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