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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) Corresponding_orbitalsBandeira, NunoOrca; 3.0.3; RELEASESingle pointDFTSVP; SVP/J-
thumbnail.jpeg21-Oct-2016/Ge2Fe6W18 BS_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CF3CO2(-) BS_6_S=15_2Bandeira, NunoADF; 2014Single pointDFTTZP; DZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13F24 BS_1_S=55_2Bandeira, NunoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13F24 BS_5_S=25_2Bandeira, NunoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CCl3CO2(-) BS_1_S=55_2Bandeira, NunoADF; 2013; 01Single pointDFTDZP; TZP-
thumbnail.jpeg21-Oct-2016/Fe13/Fe13_oxo_CCl3CO2(-) BS_7_S=5_2Bandeira, NunoADF; 2013; 01Single pointDFTDZP; TZP-
thumbnail.jpeg27-Oct-2017/DFT/Water 3_4_2Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.01897271; Eh
thumbnail.jpeg27-Oct-2017/DFT/Methanol 3_2_1Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.71919655; Eh
thumbnail.jpeg27-Oct-2017/DFT/Methanol 3Bandeira, NunoADF; 2016Geometry optimization MinimumDFTTZP; DZP-23.72240129; Eh
Results 51-60 of 273 (Search time: 0.001 seconds).