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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018small_basis_TS-B-2-3-Br_NiIMes2_PhBr_OATS_fromCl_tsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-2262.71414736; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-B-2-3-Cl_NiClPhIMes2_scanCCl_s13_optts3Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-2709.72833218; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-D-2-3-Cl_NiIPhen2_eta2_PhCl_scan_s18etsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-2237.90295085; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-C-2-3-Cl_NiIXy2_OA_PhClMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-2552.44396796; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-B-2x-3x-Cl_NiIMes_e2PhCl_1_scanCCl_s9tsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-1785.45272755; Eh
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