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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-3_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-697.158312519; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-7_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-1626.73348300; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-8_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-2091.52314217; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-4_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-929.550840310; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-2_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-464.765044999; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent/Clusters_THF Cluster-1_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(d)-232.381992893; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent 4b-ani_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDSDD; 6-31G(d)-822.211547005; Eh
Results 201-207 of 207 (Search time: 0.002 seconds).