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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54172949; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.52517243; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.53972430; Eh
Login required15-Dec-2020Gd_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6797.92785858; eV
Login required21-Dec-2020La_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6786.36593353; eV
thumbnail.jpeg18-Jul-2021Product_5Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.57320374; Eh
Login required18-Nov-2022/U2@C60/U2@C60_O2/U2@C60-1singlet U2@C60-1singletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-24.64089585; Eh
Login required21-Dec-2020Gd_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.01742778; Eh
Login required2-Jul-2021/U@C86 U@Cs(16)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.58303426; Eh
Login required21-Dec-2020La_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.69221259; Eh
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