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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_neutralRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.51495323; Eh
Login required30-Jan-2017/U@C74/U@C74_opt U@C74_1_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-23.93615062; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr8Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.50297963; Eh
thumbnail.jpeg16-Jun-2017_cis-anti-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_ofAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-46.60354464; Eh
thumbnail.jpeg16-Jun-2017_cis-syn-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_of_Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-46.60266884; Eh
thumbnail.jpeg16-Jun-2017_cis-syn-cis__Pyridyl-substituted_bis-pyrrolidine_hexa-adducts_oAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23086059; 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 required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54272213; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54172949; Eh
Results 171-180 of 205 (Search time: 0.001 seconds).