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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
thumbnail.jpeg18-Jul-2021Intermediate_666_2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.54454497; Eh
thumbnail.jpeg18-Jul-2021Product_2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.58431538; Eh
thumbnail.jpeg18-Jul-2021Lu3N@C80Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-27.07909494; Eh
thumbnail.jpeg18-Jul-2021Addend-2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-5.42179539; Eh
Login required18-Nov-2022/U2@C50/U2@C50(263) U2@C50(263)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.71198125; Eh
Login required18-Nov-2022/U2@C50/U2@C50(260) U2@C50(260)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.72473895; Eh
Login required18-Nov-2022/U2@C50/U2@C50(262) U2@C50(262)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.72914208; Eh
Login required18-Nov-2022/U2@48(196) U2@48(196)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.01552011; Eh
Login required18-Nov-2022/U2@C46(103) U2@C46(103)Rosello, YannickADF; 2017Geometry optimizationPBETZP-15.36882621; Eh
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