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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Apr-2026/L3/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7579.326209; Eh
Login required20-Apr-2026/L2/PTM/staggered TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7208.1789841; Eh
Login required20-Apr-2026/L7/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-3323.14561004; Eh
Login required20-Apr-2026/L11/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3379.667073; Eh
Login required20-Apr-2026/L10/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-3004.8473177; Eh
Login required20-Apr-2026/L4/TOT TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-2873.3950194; Eh
Login required20-Apr-2026/L10/PTM/eclipsed SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7845.93367606; Eh
Login required20-Apr-2026/L16/PTM/eclipsed SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7471.10787085; Eh
Login required20-Apr-2026/L13/PTM/eclipsed SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7535.21294086; Eh
Login required20-Apr-2026/L6/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-8084.3683149; Eh
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