10.18419/darus-1251Gugeler, KatrinKatrinGugelerUniversität StuttgartKästner, JohannesJohannesKästner0000-0001-6178-7669Universität StuttgartPublication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner groupDaRUS2021Chemistry1,4-AdditionMonomerX-ray Absorption SpectroscopyRhodium Catalysis1,2-AdditionDimerTheoretical CalculationsDensity-Functional TheoryKästner, JohannesJohannesKästnerUniversität Stuttgart20212021-04-20Theoretical Data10.1021/acs.organomet.0c0031077266166542490203application/x-compressedapplication/x-compressed1.0CC BY 4.0This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The file "complex_solvation.tgz" includes all calculations for the solvation of the dimeric complexes with water. That includes geometry optimizations. The file "1_4_addition.tgz" includes all calculations for the 1,4-addition of cyclic enones for all different binding modes. That includes geometry optimizations, transition state searches and single-point energy calculations.DFG358283783 - SFB 1333