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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg16-Jun-2017_cis-anti-cis__pyridyl-substituted_bis-pyrrolidine_hexa-adducts_Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23202383; 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.jpeg7-May-2019Three_MIBAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--14278.395478000648; nonsi:hartree
thumbnail.jpeg7-May-2019Three_MIIAAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--4819.618085616211; nonsi:hartree
thumbnail.jpeg7-May-2019Two_MIBAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--13491.40253387333; nonsi:hartree
thumbnail.jpeg7-May-2019Three_MIAAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--4971.229641937674; nonsi:hartree
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