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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_B-4-Br_transNiBrPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2263.36317372; Eh
thumbnail.jpeglarge_basis_B-2-Br_NiIMes2_eta2_PhBr_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2263.26770899; Eh
thumbnail.jpeglarge_basis_B-5-Br_NiIMes2_BrPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2263.28686329; Eh
thumbnail.jpeglarge_basis_B-3-Br_tetNiBrPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2263.32738065; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2263.26214208; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2263.28344836; Eh
thumbnail.jpeglarge_basis_TS-B-2-3-Br_NiIMes2_oa_PhBr_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2263.26590917; Eh
thumbnail.jpegsmall_basis_B-4-Br_NiBrPhIMes2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2262.81263762; Eh
thumbnail.jpegsmall_basis_B-2-Br_NiIMes2_PhBr_OATS_fromCl_ts_ircrev_0p5Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2262.71531935; Eh
thumbnail.jpegsmall_basis_B-5-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_ts_ircfwd_t_oMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-2262.73336938; Eh
thumbnail.jpegsmall_basis_B-3-Br_cis-NiBrPhIMes2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2262.77718946; Eh
thumbnail.jpegsmall_basis_TS-B-5-6-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_tsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-2262.72968229; Eh
thumbnail.jpegsmall_basis_TS-B-2-3-Br_NiIMes2_PhBr_OATS_fromCl_tsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2262.71414736; Eh
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