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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-May-2018/Sc3N@C80 Sc3N@C80_2Roser, MoralesADF; 2017Geometry optimizationDFTTZP-62.44533274; Eh
Login required25-Sep-2018/U@(17418)C76 U@C76_triplet_optRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-25.08741306; Eh
thumbnail.jpeg16-Jun-2017_cis-syn-cis__Pyridyl-substituted_bis-pyrrolidine_hexa-adducts_oAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23086059; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr8Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.50297963; Eh
thumbnail.jpeg16-Jun-2017Mono-(pyridyl-pyrrolidine)_penta-adduct_of_C60Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-43.94516650; Eh
thumbnail.jpeg16-Jun-2017Mono-(Ester-pyrrolidine)_penta-adduct_of_C60Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-42.12884089; Eh
Login required2-Feb-2017/C2v(1809)-C60 C2v(1809)-C60Cl2_(1)Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.29262006; 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/D5h(271)-C50 D5h(271)-C50H12Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.75627594; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H12Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.75627594; Eh
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