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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Apr-2026/L3/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-2498.5729885; Eh
Login required20-Apr-2026/L2/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-2367.1016083; Eh
Login required20-Apr-2026/L6/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-3243.29054864; Eh
Login required20-Apr-2026/L7/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-3323.14561004; Eh
Login required20-Apr-2026/L4/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-2873.39564683; Eh
Login required20-Apr-2026/L11/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3379.6742331; Eh
Login required20-Apr-2026/L11/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3379.667073; Eh
Login required20-Apr-2026/L14/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3315.5330266; Eh
Login required20-Apr-2026/L7/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3323.1440442; Eh
Login required20-Apr-2026/L13/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-2694.133776; Eh
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