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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2018/Cr2Ni/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-20.96003827; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Si_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40950289; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Si_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
thumbnail.jpeg20-Jul-2018/Cr2Fe/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-21.08508090; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_red1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.56469589; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_ox2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.02486217; Eh
thumbnail.jpeg5-Apr-2016/Chapter_3/PBE0 Fe(phen)3_2+_LS_PBE0Saureu, SergiTURBOMOLE; 6.3Geometry optimizationDFTdef2-TZVP-2976.643415998; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_ox1Roser, MoralesADF; 2017Geometry optimizationDFTTZP-26.23374829; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40932045; Eh
Results 41-50 of 159 (Search time: 0.0 seconds).