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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2016APP2_iso103054Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.74072567; Eh
thumbnail.jpeg18-Mar-2016IPR_86Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.76455501; Eh
thumbnail.jpeg18-Mar-2016IPR_44Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.79038824; Eh
thumbnail.jpeg18-Mar-2016IPR_36Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.80487066; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cor)(NtClPh)] TripletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-3766.854550687; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cor)(NMes)] TripletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-2505.853231765; Eh
thumbnail.jpeg20-Apr-2016/[Mn(Cz)(NMes)] TripletAlcover, GerardTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-2554.016150579; Eh
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
Results 141-150 of 205 (Search time: 0.001 seconds).