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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Sep-2020/Orca TS4Cvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1709.68986771; Eh
thumbnail.jpeg11-Sep-2020/Orca TS4BEXPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-2244.90227254; Eh
29-Sep-2020/_Energies Energiesvon Wolff, Niklas--------
thumbnail.jpeg11-Sep-2020/Orca TS2Bbpyvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1629.65707485; Eh
thumbnail.jpeg11-Sep-2020/Orca TS2Bvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1634.44322078; Eh
thumbnail.jpeg11-Sep-2020/Orca TS2Abpyvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1629.65420016; Eh
thumbnail.jpeg11-Sep-2020/Orca TS2Cvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1634.42849011; Eh
thumbnail.jpeg11-Sep-2020/Gaussian 3avon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2TZVP/W06-
thumbnail.jpeg11-Sep-2020/Orca TS4BbpyEXPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-2240.12268867; Eh
thumbnail.jpeg19-Nov-2020TS4BEt2von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM06LDEF2TZVP DEF2TZVP/W06-1710.19882199; Eh
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