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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20171Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-440.126977109; Eh
thumbnail.jpeg29-Sep-20173Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-1858.15055969; Eh
thumbnail.jpeg29-Sep-20174_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2529.39739093; Eh
thumbnail.jpeg29-Sep-20175_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2528.91819204; Eh
thumbnail.jpeg29-Sep-20177minor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42294477; Eh
thumbnail.jpeg29-Sep-20177major_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42424765; Eh
thumbnail.jpeg8-Mar-2018(C6H6)(bpy)NiFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311+G**-896.898032728; Eh
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
Results 1-10 of 124 (Search time: 0.001 seconds).