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+_IS_PBE0Saureu, SergiTURBOMOLE; 6.3Geometry optimizationU-DFTdef2-TZVP-2976.624648554; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siv_optRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.40932319; Eh
Login required8-May-2018/Sc3N@C80 Sc3N@C80_2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-62.44533274; Eh
Login required31-May-2018ScGdO@C1(39631)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.28700673; Eh
Login required31-May-2018ScGdC2@C1(34647)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.51750024; Eh
Login required31-May-2018ScGdC2@C2v(39705)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.52717263; Eh
Login required31-May-2018ScGdC2@C3v(8)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.55508098; Eh
Login required31-May-2018ScGdO@C2v(9)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.33984590; Eh
Login required31-May-2018ScGdO@C1(34647)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.27615121; Eh
Login required31-May-2018ScGdC2@C1(36652)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.50153281; Eh
Results 71-80 of 205 (Search time: 0.001 seconds).