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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_B-4-Cl_transNiClPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.42169637; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2710.32684219; Eh
thumbnail.jpeglarge_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-2710.30413986; Eh
thumbnail.jpeglarge_basis_B-5-Cl_NiIMes2_ClPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.33851328; Eh
thumbnail.jpeglarge_basis_TS-B-2-3-Cl_NiIMes2_oa_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.31636386; Eh
thumbnail.jpeglarge_basis_B-3-Cl_tetNiClPhIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.38226377; Eh
thumbnail.jpeglarge_basis_B-2-Cl_NiIMes2_eta2_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.32115799; Eh
thumbnail.jpegsmall_basis_B-4-Cl_NiClPhIMes2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2709.83537734; Eh
thumbnail.jpegsmall_basis_TS-B-5-6-Cl_NiIMes2_ClPh_fromBr_t_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-2709.73872063; Eh
thumbnail.jpegsmall_basis_B-5-Cl_NiIMes2_ClPh_fromBr_t_ossts_ircrev_t_optMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-2709.75023475; Eh
thumbnail.jpegsmall_basis_TS-B-2-3-Cl_NiClPhIMes2_scanCCl_s13_optts3Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2709.72833218; Eh
thumbnail.jpegsmall_basis_B-3-Cl_cis-NiClPhIMes2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2709.79536616; Eh
thumbnail.jpegsmall_basis_B-2-Cl_NiClPhIMes2_scanCCl_s13_optts3_ircrev_optMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-2709.73313454; Eh
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