Browsing by Author Mudarra, Ángel Luís

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegNMe4Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM066-31+G(d,p)-214.093582988; Eh
thumbnail.jpegPh-radMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UM066-31+G(d,p)-231.388259783; Eh
thumbnail.jpegPhCF3Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM066-31+G(d,p)-569.029781789; Eh
thumbnail.jpegPhIMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RM06SDD; 6-31+G(d,p)-242.860981882; Eh
thumbnail.jpegPhI-rad-negMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UM06SDD; 6-31+G(d,p)-242.964613548; Eh
thumbnail.jpeg/THF_solvent 4a_dimer_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-3193.24057977; Eh
thumbnail.jpeg/THF_solvent 4a_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-1596.59228271; Eh
thumbnail.jpeg/THF_solvent 4b-ani_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-822.204516291; Eh
thumbnail.jpeg/THF_solvent 4b-cat-I_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-2370.97792954; Eh
thumbnail.jpeg/THF_solvent 4b-cat-II_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-2835.78194900; Eh
thumbnail.jpeg/THF_solvent 4b-cat-III_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-1723.72355651; Eh
thumbnail.jpeg/THF_solvent 4b-cat-IV_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-2603.37997052; Eh
thumbnail.jpeg/THF_solvent 4b-cat-V_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-1723.68709056; Eh
thumbnail.jpeg/THF_solvent 4b-cat-VI_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-611.661228919; Eh
thumbnail.jpeg/THF_solvent 4b-cat-VII_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-1076.47003132; Eh
thumbnail.jpeg/THF_solvent 4b-ionpair_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XDSDD; 6-31G(d)-3425.62699103; Eh
thumbnail.jpeg/THF_solvent Bc-Ligand_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-1112.00383035; Eh
thumbnail.jpeg/THF_solvent/Clusters_THF Cluster-1_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-232.381992893; Eh
thumbnail.jpeg/THF_solvent/Clusters_THF Cluster-2_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-464.765044999; Eh
thumbnail.jpeg/THF_solvent/Clusters_THF Cluster-3_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RwB97XD6-31G(d)-697.158312519; Eh