Browsing by Author Mudarra, Ángel Luís

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg3I1-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2233.80191973; Eh
thumbnail.jpegDMFMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM066-31+G(d,p)-248.371944771; Eh
thumbnail.jpeg/DMF_solvent 4a_dimer_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-3193.24580396; Eh
thumbnail.jpeg/DMF_solvent 4a_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-1596.59237767; Eh
thumbnail.jpeg/DMF_solvent 4b-ani_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-822.211547005; Eh
thumbnail.jpeg/DMF_solvent 4b-cat-I_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-2370.97819770; Eh
thumbnail.jpeg/DMF_solvent 4b-cat-II_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-2867.89993197; Eh
thumbnail.jpeg/DMF_solvent 4b-ionpair_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-3441.68688851; Eh
thumbnail.jpeg/DMF_solvent Bc-Ligand_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1112.00363093; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-1_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-248.438223841; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-2_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-496.885751227; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-3_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-745.332803858; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-4_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-993.785438959; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-5_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1242.23522534; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-6_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1490.68909612; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-7_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1739.14073511; Eh
thumbnail.jpeg/DMF_solvent/Cluster_DMF Cluster-8_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1987.58958653; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I0ad-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.42346857; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.48580334; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I8-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.49637548; Eh