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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018small_basis_PhI_PhI_gMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-243.043279113; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-4-I_NiIPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1179.49143667; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-1_NiITMe2_isom2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-936.329152812; Eh
thumbnail.jpeg30-Aug-2018small_basis_NiCODIXy_NiCODIXyMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1327.03087490; Eh
thumbnail.jpeg30-Aug-2018small_basis_B-2x-Cl_NiIMes_e2PhCl_1Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1785.46267268; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-5-Br_NiITMe2BrPh_2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1181.17022003; Eh
thumbnail.jpeg30-Aug-2018small_basis_C-3-Cl_tetNiClPhIXy2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2552.50973796; Eh
thumbnail.jpeg30-Aug-2018small_basis_NiCODIPhen_NiCODIPhenMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(d)-1169.74676374; Eh
thumbnail.jpeg30-Aug-2018small_basis_D-5-Cl_NiIPhen2_ClPhMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2237.88504362; Eh
thumbnail.jpeg30-Aug-2018small_basis_B-1_NiIMes2_rMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2017.88811766; Eh
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