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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_A-4-Cl_trans-NiClPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.59992083; Eh
thumbnail.jpeglarge_basis_A-3-Cl_cis-NiClPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.59300135; Eh
thumbnail.jpeglarge_basis_TS-A-2-3-Cl_NiITMe2_OATS_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.51976840; Eh
thumbnail.jpeglarge_basis_A-2-Cl_NiITMe2_eta2_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.52099082; Eh
thumbnail.jpeglarge_basis_TS-A-5-6-Cl_NiITMe2_ossts_PhCl_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-1628.46336906; Eh
thumbnail.jpeglarge_basis_TS-A-5-6-Cl_NiITMe2_ossts_PhCl_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-1628.48697466; Eh
thumbnail.jpeglarge_basis_A-5-Cl_NiITMe2_ClPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.49916775; Eh
thumbnail.jpegsmall_basis_A-4-Cl_NiClPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-1628.28851585; Eh
thumbnail.jpegsmall_basis_A-3-Cl_cis-NiClPhITMe2_sqpMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-1628.28145589; Eh
thumbnail.jpegsmall_basis_A-2-Cl_cisNiClPhITMe2_isom1_r_scanCCl_s15Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-1628.20971396; Eh
thumbnail.jpegsmall_basis_TS-A-5-6-Cl_NiITMe2_ha_ClPh_fIMes_fix_t_osstsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-31G*-1628.17471149; Eh
thumbnail.jpegsmall_basis_A-5-Cl_NiITMe2ClPh_2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G*-1628.18762256; Eh
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