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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-2016/Fe13/Fe13F24 BS_7_S=5_2Bandeira, NunoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg21-Oct-2016/As4Fe8W30 BSBandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) BS_5_S=25_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) BS_4_S=35_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) BS_6_S=15_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg19-Sep-2018/2_electrons/1_H+/Mo2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-3.22156685; Eh
thumbnail.jpeg19-Sep-2018/2_electrons/1_H+/Mo2O2S8H B3Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.22122281; Eh
thumbnail.jpeg19-Sep-2018/1_electron/2_H+/Mo2O2S8H2 BA2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.04927364; Eh
thumbnail.jpeg19-Sep-2018/1_electron/2_H+/Mo2O2S8H2 BC1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.03127574; Eh
thumbnail.jpeg27-Oct-2017/DFT/Pathway_1 1_5Bandeira, NunoADF; 2016Geometry optimization TSDFTTZP; DZP-
Results 81-90 of 273 (Search time: 0.002 seconds).