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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Feb-2017/C2v(4059)-C66 C2v(4059)-C66Cl10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-21.91728344; Eh
thumbnail.jpeg21-Jul-2016Sc2@C2(44)-C90Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.15063412; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cor)(NMes)] TripletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-2505.853231765; Eh
thumbnail.jpeg5-Apr-2016/Chapter_5/B3LYP_OPT (SCH3)Fe(IV)O(Porph)_LS_B3LYPSaureu, SergiTURBOMOLE; 6.6Geometry optimizationU-DFTdef2-TZVP-2764.113887941; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_ox1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.32829118; Eh
thumbnail.jpeg5-Dec-2016th@c82_app1_39706Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.44428706; Eh
Login required1-Feb-2017/C2v(4059)-C66 Sc2@C2v(4059)-C66H10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-22.81547605; Eh
Login required1-Feb-2017/Ih-C60 Sr@Ih-C60ClMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.34671925; Eh
Login required1-Feb-2017/C2v(1809)-C60 C2v(1809)-C60HMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.26650767; Eh
Login required1-Feb-2017/Ih-C60 Ih-C60FMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.30153198; Eh
Results 61-70 of 205 (Search time: 0.001 seconds).