Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.52517243; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.53972430; Eh
thumbnail.jpeg16-Jun-2017_cis-anti-cis__pyridyl-substituted_bis-pyrrolidine_hexa-adducts_Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23202383; Eh
Login required2-Jul-2021/U@C86 U@Cs(16)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.58303426; Eh
Login required2-Jul-2021/U@C86 U@C2(17)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59123181; Eh
Login required2-Jul-2021/U@C86 U@C2(14)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59187326; Eh
Login required2-Jul-2021/U@C86 U@C1(11)-C86Rosello, YannickADF; 2019; 302Geometry optimizationPBE0 == Not Default ==TZP-34.60133512; Eh
Login required2-Jul-2021/U@C84 U@Cs(15)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79051773; Eh
Login required2-Jul-2021/U@C84 U@C2(8)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79012120; Eh
Login required2-Jul-2021/U@C86 U@C1(5)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59349975; Eh
Results 31-40 of 67 (Search time: 0.0 seconds).