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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Apr-2026/L6/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3243.2898696; Eh
Login required20-Apr-2026/L13/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-2694.133776; Eh
Login required20-Apr-2026/L12/PTM/eclipsed SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7877.98413250; Eh
Login required20-Apr-2026/L13/PTM/staggered SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7535.21281610; Eh
Login required20-Apr-2026/L8/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-8251.9395728; Eh
Login required20-Apr-2026/L12/PTM/staggered TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7877.981839; Eh
Login required20-Apr-2026/L4/PTM/staggered TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7714.4728228; Eh
Login required20-Apr-2026/L5/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7900.0400524; Eh
Login required20-Apr-2026/L11/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3379.6742331; Eh
Login required20-Apr-2026/L14/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3315.5330266; Eh
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