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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2021/U@C82 U@Cs(6)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.97563535; Eh
Login required2-Jul-2021/U@C86 U@C1(12)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59170559; Eh
Login required2-Jul-2021/U@C84 U@C2(8)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79012120; Eh
Login required2-Jul-2021/U@C86 U@C1(5)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59349975; 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 required23-Jan-2023/Sc2@C3v(8)-C82 Sc2@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.86552547; Eh
Login required18-Nov-2022/U2@C78/U2@C78_O1 U2@C78_O1Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-31.92530994; Eh
Results 201-210 of 627 (Search time: 0.001 seconds).