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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_B-1_NiIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2018.38016785; Eh
thumbnail.jpeglarge_basis_NiIMes2_distort_NiIMes2_eta2_PhCl_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2018.31962356; Eh
thumbnail.jpeglarge_basis_NiIMes2_distort_NiIMes2_eta2_PhI_fixCI_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2018.31627941; Eh
thumbnail.jpeglarge_basis_NiIMes2_distort_NiIMes2_eta2_PhBr_bb_NiL2fragMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2018.31733565; Eh
thumbnail.jpegsmall_basis_B-1_NiIMes2_rMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2017.88811766; Eh
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