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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2016/empty_capsules_single_point C78_AASBSerapian, StefanoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg10-May-2016/empty_capsules_single_point C90_AAAASerapian, StefanoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg10-May-2016/empty_capsules_single_point C78_ABSASerapian, StefanoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg10-May-2016/empty_capsules_single_point C70_SASASerapian, StefanoADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg10-May-2016/full_capsule_optimisations C60_AAAASerapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-78.89625319; Eh
thumbnail.jpeg10-May-2016/free_fullerene_optimisations C60Serapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-19.36451413; Eh
thumbnail.jpeg10-May-2016/free_fullerene_optimisations C84Serapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-27.33435061; Eh
thumbnail.jpeg10-May-2016/free_fullerene_optimisations C78Serapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-25.31737605; Eh
thumbnail.jpeg10-May-2016/free_fullerene_optimisations C70Serapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-22.69349823; Eh
thumbnail.jpeg10-May-2016/free_fullerene_optimisations C90Serapian, StefanoADF; 2013; 01Geometry optimizationDFTTZP-29.29924609; Eh
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