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 required18-Nov-2022/U2@C60/U2@C60_O2/U2@C60-7septuplet U2@C60-7septupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-24.61340057; Eh
Login required18-Nov-2022/U2@C80/U2@C80_O2/U2@C80-1singlet U2@C80-1singletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.73312153; Eh
Login required18-Nov-2022/U2@C80/U2@C80_O1/U2@C80-BS U2@C80-BSRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.72142953; Eh
Login required18-Nov-2022/U2@C46(103) U2@C46(103)Rosello, YannickADF; 2017Geometry optimizationPBETZP-15.36882621; Eh
Login required18-Nov-2022/U2@C44(75) U2@C44(75)Rosello, YannickADF; 2017Geometry optimizationPBETZP-14.70420212; Eh
Login required18-Nov-2022/U2@C60/U2@C60_O1/U2@C60-5quintuplet U2@C60-5quintupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-24.63293598; Eh
Login required18-Nov-2022/U2@C80/U2@C80_O1/U2@C80-7septuplet U2@C80-7septupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.73312153; Eh
Login required18-Nov-2022/U2@C80/U2@C80_O2/U2@C80-7septuplet U2@C80-7septupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.70151747; Eh
thumbnail.jpeg22-Feb-2023H4PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-26.08353246; Eh
thumbnail.jpeg22-Feb-2023H2PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-24.67639148; Eh
Results 171-180 of 186 (Search time: 0.0 seconds).