Wissenschaftliche Publikationen
Zeitschriftenartikel (4584)
1.
Zeitschriftenartikel
126 (23), S. 3826 - 3838 (2022)
Optimization of the r2SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis Sets. The Journal of Physical Chemistry A 2.
Zeitschriftenartikel
18 (6), S. 3538 - 3548 (2022)
Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of Chemical Theory and Computation 3.
Zeitschriftenartikel
61 (24), e202201311 (2022)
An Anionic Dinuclear Ruthenium Dihydrogen Complex of Relevance for Alkyne gem-Hydrogenation. Angewandte Chemie International Edition 4.
Zeitschriftenartikel
61 (23), e202117682 (2022)
Formation of Breslow Intermediates from N-Heterocyclic Carbenes and Aldehydes Involves Autocatalysis by the Breslow Intermediate, and a Hemiacetal. Angewandte Chemie International Edition 5.
Zeitschriftenartikel
144 (21), S. 9421 - 9433 (2022)
Surface and Bulk Chemistry of Mechanochemically Synthesized Tohdite Nanoparticles. Journal of the American Chemical Society 6.
Zeitschriftenartikel
Organocatalytic Asymmetric Synthesis of Si-Stereogenic Silyl Ethers. Journal of the American Chemical Society (2022)
7.
Zeitschriftenartikel
Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry. ChemSusChem, e202200456 (2022)
8.
Zeitschriftenartikel
61 (20), S. 8022 - 8035 (2022)
Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens. Inorganic Chemistry 9.
Zeitschriftenartikel
156 (20), 204104 (2022)
A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions. The Journal of Chemical Physics 10.
Zeitschriftenartikel
14 (10), e202101785 (2022)
Engineering of Cation Occupancy of CoFe2O4 Oxidation Catalysts by Nanosecond, Single-Pulse Laser Excitation in Water. ChemCatChem 11.
Zeitschriftenartikel
144 (19), S. 8460 - 8466 (2022)
Design of an Organocatalytic Asymmetric (4 + 3) Cycloaddition of 2-Indolylalcohols with Dienolsilanes. Journal of the American Chemical Society 12.
Zeitschriftenartikel
61 (21), e202201248 (2022)
Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie International Edition 13.
Zeitschriftenartikel
Synthesis and Structure of Mono-, Di-, and Trinuclear Fluorotriarylbismuthonium Cations. Organometallics (2022)
14.
Zeitschriftenartikel
605, S. 84 - 89 (2022)
Organocatalytic stereoselective cyanosilylation of small ketones. Nature 15.
Zeitschriftenartikel
Direct Conversion of Syngas to Higher Alcohols via Tandem Integration of Fischer–Tropsch Synthesis and Reductive Hydroformylation. Angewandte Chemie International Edition, e202201004 (2022)
16.
Zeitschriftenartikel
337, 111940 (2022)
Combination of X-ray powder diffraction and adsorption calorimetry for the characterization of calcium exchanged LTA zeolites. Microporous and Mesoporous Materials 17.
Zeitschriftenartikel
604 (7907), S. 677 - 683 (2022)
Catalytic synthesis of phenols with nitrous oxide. Nature 18.
Zeitschriftenartikel
24 (16), S. 9608 - 9618 (2022)
Statistical evaluation of simulated NMR data of flexible molecules. Physical Chemistry Chemical Physics 19.
Zeitschriftenartikel
144 (16), S. 7465 - 7478 (2022)
From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation. Journal of the American Chemical Society 20.
Zeitschriftenartikel
Computational study of ground-state properties of μ2-bridged group 14 porphyrinic sandwich complexes. Journal of Computational Chemistry (2022)