1. Universitat Rovira i Virgili

Search        

Current filters:
Start a new search
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@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@48(196) U2@48(196)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.01552011; 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
Login required5-Dec-2024UTHJ_UN@C2(13)-C84Rosello, YannickADF; 2019; 306Single pointPBE PBE0 == Not Default ==TZP-34.21114946; Eh
Login required5-Dec-2024UIND_UN@C2(13)-C84Rosello, YannickADF; 2019; 306Single pointPBE PBE0 == Not Default ==TZP-34.16320889; Eh
Login required5-Dec-2024USUM_UN@C2(13)-C84Rosello, YannickADF; 2019; 306Single pointPBE0 == Not Default ==TZP-34.19553503; Eh
Login required5-Dec-2024U5_UN@C2(13)-C84Rosello, YannickADF; 2019; 306Single pointPBE0 == Not Default ==TZP-34.19719908; Eh
Login required5-Dec-2024U1_UN@C2(13)-C84Rosello, YannickADF; 2019; 306Single pointPBE0 == Not Default ==TZP-34.21621869; Eh
Results 31-40 of 40 (Search time: 0.0 seconds).

Discover