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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 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@C44(75) U2@C44(75)Rosello, YannickADF; 2017Geometry optimizationPBETZP-14.70420212; 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
thumbnail.jpeg22-Feb-2023H3PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-25.38089820; Eh
thumbnail.jpeg22-Feb-2023HPV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-23.96123699; Eh
thumbnail.jpeg22-Feb-2023PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-23.23927949; Eh
thumbnail.jpeg22-Feb-2023BenzylaminiumMasip, AlbertADF; 2019; 306Geometry optimizationBP86TZ2P-3.78038169; Eh
Results 231-239 of 239 (Search time: 0.001 seconds).