127,531 to 127,540 of 131,794 Results
Apr 20, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2021, "Publication 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 group", https://doi.org/10.18419/DARUS-1251, DaRUS, V1
This 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... |
Compressed Archive - 736.9 MB -
MD5: a0acdee3f93691d821c4491d8f798b5f
Calculations of 1,4-addition |
Compressed Archive - 40.5 MB -
MD5: 6ae250cdbe166d4a7db63e86dd1537b1
Calculations of complex solvation |
Apr 19, 2021 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds 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"", https://doi.org/10.18419/DARUS-1250, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and the respective examinations of the nonlinear and nonlinear-like effect (HPLC 1.2-Addition; HPLC-Messungen NLE und NLLE) and gas chromatograms of the products of the rhodium-catalyzed 1,4-addition (GC-Analytik) are li... |
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