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.jpeg5-Apr-2016/Chapter_3/PBE0 Fe(phen)3_2+_HS_PBE0Saureu, SergiTURBOMOLE; 6.3Geometry optimizationU-DFTdef2-TZVP-2976.648840113; Eh
Login required1-Feb-2017/Cs(10528)-C72 Sc2O@Cs(10528)-C72H8Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-24.99810748; Eh
Login required1-Feb-2017/Cs(10528)-C72 Sc2C@Cs(10528)-C72F8Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-24.91141863; Eh
Login required1-Feb-2017/Cs(51365)-C84 Y3N@Cs(51365)-C84F2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-28.32997267; Eh
Login required1-Feb-2017/Ih(7)-C80 Sc3N@Ih(7)-C80H6Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-27.47416130; Eh
Login required1-Feb-2017/Cs(39663)-C82 Y3N@Cs(39663)-C82F2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-27.67180303; Eh
Login required1-Feb-2017/C2v(11188)-C72 C2v(11188)-C72H4Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-23.70263198; Eh
Login required1-Feb-2017/D5h(271)-C50 D5h(271)-C50HMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-15.94752039; Eh
Login required1-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50ClMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-16.00023850; Eh
Login required1-Feb-2017/D5h(271)-C50 Sr@D5h(271)-C50F10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.49763714; Eh
Results 101-110 of 205 (Search time: 0.001 seconds).