Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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.jpeg4-Apr-2023/CoFeII HS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUTPSShDEF2TZVP DEF2SVP GEN-3652.87492826; Eh
thumbnail.jpeg4-Apr-2023/CoFeII LS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUTPSShDEF2TZVP DEF2SVP GEN-3652.87178900; Eh
Results 11-20 of 387 (Search time: 0.002 seconds).