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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Apr-2026/L9/PTM/staggered TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-8053.5594109; Eh
Login required20-Apr-2026/L15/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7813.8550762; Eh
Login required20-Apr-2026/L1/PTM/eclipsed TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7579.326209; Eh
Login required20-Apr-2026/L2/TOT SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-2367.10210603; Eh
Login required20-Apr-2026/L7/PTM/staggered SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-8164.21993381; Eh
Login required20-Apr-2026/L1/PTM/staggered SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7579.32642059; Eh
Login required20-Apr-2026/L15/PTM/eclipsed SingletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-7813.85841734; Eh
Login required20-Apr-2026/L15/PTM/staggered TripletJutglar Lozano, KílianGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBEDEF2TZVP-7813.8549599; Eh
thumbnail.jpeg21-Apr-2026/cycle/large_basis I3Jesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPGEN-2805.2151171; Eh
thumbnail.jpeg21-Apr-2026/cycle/large_basis I2Jesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPGEN-2496.6692093; Eh
Results 395631-395640 of 397032 (Search time: 0.219 seconds).