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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr2_1_3 Cr2_1_3Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.32885507; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr3_3_0 Cr3_3_0Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.33988053; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr2_2_2 Cr2_2_2Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.33337025; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr0_1_5 Cr0_1_5Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.32094304; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr3_0_3 Cr3_0_3Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.33017311; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr1_0_5 Cr1_0_5Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.31988896; Eh
thumbnail.jpeg13-Dec-2016negativemodel_DMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CCl3CO2(-) BS_4_S=35_2Bandeira, NunoADF; 2013; 01Single pointDFTDZP; TZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) BS_1_S=55_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg13-Dec-2016positivemodel_SO3Melgar, DoloresADF; 2012; 01Single pointDFT--
Results 21-30 of 5577 (Search time: 0.003 seconds).