Scientific Publications
Journal Article (4584)
1.
Journal Article
126 (23), pp. 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.
Journal Article
18 (6), pp. 3538 - 3548 (2022)
Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of Chemical Theory and Computation 3.
Journal Article
61 (24), e202201311 (2022)
An Anionic Dinuclear Ruthenium Dihydrogen Complex of Relevance for Alkyne gem-Hydrogenation. Angewandte Chemie International Edition 4.
Journal Article
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.
Journal Article
144 (21), pp. 9421 - 9433 (2022)
Surface and Bulk Chemistry of Mechanochemically Synthesized Tohdite Nanoparticles. Journal of the American Chemical Society 6.
Journal Article
Organocatalytic Asymmetric Synthesis of Si-Stereogenic Silyl Ethers. Journal of the American Chemical Society (2022)
7.
Journal Article
Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry. ChemSusChem, e202200456 (2022)
8.
Journal Article
61 (20), pp. 8022 - 8035 (2022)
Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens. Inorganic Chemistry 9.
Journal Article
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.
Journal Article
14 (10), e202101785 (2022)
Engineering of Cation Occupancy of CoFe2O4 Oxidation Catalysts by Nanosecond, Single-Pulse Laser Excitation in Water. ChemCatChem 11.
Journal Article
144 (19), pp. 8460 - 8466 (2022)
Design of an Organocatalytic Asymmetric (4 + 3) Cycloaddition of 2-Indolylalcohols with Dienolsilanes. Journal of the American Chemical Society 12.
Journal Article
61 (21), e202201248 (2022)
Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie International Edition 13.
Journal Article
Synthesis and Structure of Mono-, Di-, and Trinuclear Fluorotriarylbismuthonium Cations. Organometallics (2022)
14.
Journal Article
605, pp. 84 - 89 (2022)
Organocatalytic stereoselective cyanosilylation of small ketones. Nature 15.
Journal Article
Direct Conversion of Syngas to Higher Alcohols via Tandem Integration of Fischer–Tropsch Synthesis and Reductive Hydroformylation. Angewandte Chemie International Edition, e202201004 (2022)
16.
Journal Article
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.
Journal Article
604 (7907), pp. 677 - 683 (2022)
Catalytic synthesis of phenols with nitrous oxide. Nature 18.
Journal Article
24 (16), pp. 9608 - 9618 (2022)
Statistical evaluation of simulated NMR data of flexible molecules. Physical Chemistry Chemical Physics 19.
Journal Article
144 (16), pp. 7465 - 7478 (2022)
From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation. Journal of the American Chemical Society 20.
Journal Article
Computational study of ground-state properties of μ2-bridged group 14 porphyrinic sandwich complexes. Journal of Computational Chemistry (2022)