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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-2018small_basis_D-2-Cl_NiIPhen2_eta2_PhClMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2237.90332088; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-5-Cl_NiITMe2ClPh_2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1628.18762256; Eh
thumbnail.jpeg30-Aug-2018small_basis_C-4-Cl_transNiClPhIXy2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2552.54870847; 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-2018small_basis_D-1_NiIPhen2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(d)-1546.03055759; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-2-Cl_cisNiClPhITMe2_isom1_r_scanCCl_s15Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1628.20971396; Eh
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_D-3-Cl_tet-NiClPhIPhen2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2237.96829722; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-2-Br_NiITMe2_eta2_PhBr_fCl_nosolv_solv_fixCBrMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1181.19618111; Eh
Results 1-10 of 116 (Search time: 0.001 seconds).