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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_B-5-I_NiIMes2_IPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2261.50773286; Eh
thumbnail.jpeglarge_basis_B-4-I_transNiIPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2261.57557418; Eh
thumbnail.jpeglarge_basis_B-3-I_tetNiIPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2261.54374849; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-I_NiIMes2_ossts_PhI_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2261.48124081; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-I_NiIMes2_ossts_PhI_t_ossts_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2261.50730351; Eh
thumbnail.jpeglarge_basis_B-2-I_NiIMes2_eta2_PhI_fixCI_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2261.48146788; Eh
thumbnail.jpegsmall_basis_B-5-I_NiIMes2_IPh_2001_r2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2260.95413771; Eh
thumbnail.jpegsmall_basis_B-4-I_NiIPhIMes2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2261.02616171; Eh
thumbnail.jpegsmall_basis_B-3-I_NiIMes2_PhIeta2_fromBrMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2260.99503146; Eh
thumbnail.jpegsmall_basis_TS-B-5-6-I_NiIMes2_IPh_ossts_fBr_1_t_scanCI_s5t_osstMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-2260.95387479; Eh
thumbnail.jpegsmall_basis_B-2-I_NiIMes2_eta2PhI_fBr_nosolv_fixCI_solvMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2260.92973630; Eh
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Results 1-11 of 11 (Search time: 0.004 seconds).