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.jpeg20-Apr-2016/[Mn(Cor)(NMes)] SingletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationDFTdef2-TZVP-2505.877805756; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cz)(NMes)] SingletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationDFTdef2-TZVP-2554.039630778; Eh
thumbnail.jpeg18-Mar-2016APP1_iso124451Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.77686954; Eh
thumbnail.jpeg18-Mar-2016APP2_124337Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.77043136; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cor)(NtClPh)] SingletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationDFTdef2-TZVP-3766.873792517; Eh
thumbnail.jpeg1-Mar-2016Sc2O@Td(2)-C76_optimizationAbella, LauraADF; 2012; 01Geometry optimizationDFTTZP; TZ2P-25.00749065; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_red1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.64697629; 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
thumbnail.jpeg5-Dec-2016th@c82_ipr6Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.49173517; Eh
Results 111-120 of 136 (Search time: 0.001 seconds).