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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required25-Sep-2018/U@(17418)C76 U@C76_triplet_optRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-25.08741306; Eh
Login required8-May-2018/Sc3N@C80 Sc3N@C80_2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-62.44533274; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50Cl16Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.29441158; Eh
Login required2-Feb-2017/C2v(1809)-C60 Ca@C2v(1809)-C60F4_(2)Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.82795034; Eh
Login required2-Feb-2017/C2v(1809)-C60 Ca@C2v(1809)-C60H2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.52493920; Eh
Login required2-Feb-2017/C2v(1809)-C60 C2v(1809)-C60H2_(2)Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.42653029; Eh
Login required2-Feb-2017/C2v(4059)-C66 C2v(4059)-C66Cl10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-21.91728344; Eh
Login required2-Feb-2017/D5h(271)-C50 D5h(271)-C50F4Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-16.39216727; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H20Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-18.87727398; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H12Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.75627594; Eh
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