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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2016PdII_Cl_OH_ORJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-895.419878844; Eh
thumbnail.jpeg9-May-2016PdII_Cl2_2OHJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1199.78894039; Eh
thumbnail.jpeg9-May-2016Pd0_Cl_ORJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-819.095244812; 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_O2_ROHJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-970.500473921; Eh
thumbnail.jpeg9-May-2016PdII_Cl_OOH_ROJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-970.491184773; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-H₂Morales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31G** GEN-1.16466336003; Eh
thumbnail.jpeg30-Aug-2021fe4co4_KJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBEGEN-15483.4770735; Eh
thumbnail.jpeg30-Aug-2021fe4co4_2Li_H2OJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBEGEN-15043.9196929; Eh
Results 11-20 of 33 (Search time: 0.001 seconds).