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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016PdOAc2Jover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G*; SDD-584.434763784; Eh
thumbnail.jpeg9-May-2016PdCl2Jover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1048.26575163; Eh
thumbnail.jpeg9-May-2016ROHJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE--232.146975576; Eh
thumbnail.jpeg9-May-2016PdII_Cl_2OH_ROHJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-971.784100730; Eh
thumbnail.jpeg9-May-2016PdII_Cl_H_OOH_ROJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-970.492750935; Eh
thumbnail.jpeg9-May-2016PdII_Cl_OOH_ROJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-970.491184773; Eh
thumbnail.jpeg9-May-2016PdII_Cl2_O2Jover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1198.50814293; Eh
thumbnail.jpeg9-May-2016TS_IVJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRPBEPBE6-31+G*; SDD-970.466717438; Eh
thumbnail.jpeg9-May-2016PdII_Cl_H_OH_ORJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-895.421179179; Eh
thumbnail.jpeg9-May-2016Pd0_Cl_ORJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-819.095244812; Eh
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