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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Nov-20212von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1403.43698047; Eh
Login required15-Nov-2021TS2oxvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSUM06LDEF2SVP DEF2SVP/W06-1558.15186979; Eh
Login required15-Nov-2021TS1oxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.00296155; Eh
Login required15-Nov-2021TS2oxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1558.98010883; Eh
Login required15-Nov-2021TS1von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.17699088; Eh
Login required15-Nov-2021TS2von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.17491575; Eh
Login required15-Nov-2021EtOHvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-155.03371685; Eh
Login required19-Nov-2021RuBPYPF6von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-3462.86457298; Eh
Login required15-Nov-202110von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1847.62695151; Eh
Login required15-Nov-202111von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1847.13143685; Eh
Results 11-20 of 42 (Search time: 0.001 seconds).