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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jul-2021Product_5Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.57320374; 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
Login required2-Jul-2021/U@C86 U@C2(17)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59123181; Eh
Login required21-Dec-2020Lu_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.17942038; Eh
Login required21-Dec-2020La_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.24383160; Eh
Login required2-Jul-2021/U@C86 U@C2(14)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59187326; Eh
Login required21-Dec-2020Lu_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.58543593; Eh
Login required21-Dec-2020Gd_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.58764772; Eh
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