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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jun-2017_cis-anti-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_ofAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-46.60354464; Eh
Login required2-Feb-2017/C2v(1809)-C60 Ca@C2v(1809)-C60H2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.52493920; Eh
thumbnail.jpeg16-Jun-2017_cis-syn-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_of_Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-46.60266884; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H20Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-18.87727398; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.53972430; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_neutralRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.51495323; 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)-C50Cl16Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.29441158; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54172949; Eh
Login required2-Jul-2021/U@C86 U@C1(12)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59170559; Eh
Results 31-40 of 48 (Search time: 0.001 seconds).