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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-4_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-993.785438959; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-7_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-1739.14073511; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-8_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-1987.58958653; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-5_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-1242.23522534; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-6_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-1490.68909612; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-3_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-745.332803858; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-2_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-496.885751227; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent/Cluster_DMF Cluster-1_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-248.438223841; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent 4b-ionpair_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDSDD; 6-31G(d)-3441.68688851; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent 4b-cat-II_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDSDD; 6-31G(d)-2867.89993197; Eh
Results 1-10 of 35 (Search time: 0.001 seconds).