Browsing by Author Maseras, Feliu

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeglarge_basis_A-1_NiITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-936.542798241; Eh
thumbnail.jpeglarge_basis_A-2-Br_NiITMe2_eta2_PhBr_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1181.46957691; 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_A-3-Br_cis-NiBrPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1181.53805248; 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_A-3-I_cis-NiIPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1179.75532412; Eh
thumbnail.jpeglarge_basis_A-4-Br_trans-NiBrPhITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1181.54575592; Eh
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-4-I_trans-NiIPhITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1179.76388985; Eh
thumbnail.jpeglarge_basis_A-5-Br_NiITMe2_BrPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1181.44663653; Eh
thumbnail.jpeglarge_basis_A-5-Cl_NiITMe2_ClPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1628.49916775; Eh
thumbnail.jpeglarge_basis_A-5-I_NiITMe2_IPh_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1179.66794041; Eh
thumbnail.jpeglarge_basis_A-6-Br_NiBrITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-949.818278044; Eh
thumbnail.jpeglarge_basis_A-6-Cl_NiClITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-1396.87288804; Eh
thumbnail.jpeglarge_basis_A-6-I_NiIITMe2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01UB3LYP6-311+G(d,p)-948.038890059; Eh
thumbnail.jpeglarge_basis_B-1_NiIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2018.38016785; 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-2-Cl_NiIMes2_eta2_PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-2710.32115799; 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.jpeglarge_basis_B-2x-Cl_NiIMes_e2PhCl_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01RB3LYP6-311+G(d,p)-1785.80647987; Eh