Ligand-Controlled Regiodivergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands
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Recent advances in the development of ruthenium catalysts for the atom transfer radical addn. of polyhalogenated compds. to olefins ('Kharasch reaction') are described. Three classes of homogeneous catalysts are discussed: halfsandwich complexes with h6-ar ...
A novel composite material based on carbon nanofibers (CNF) grown on sintered metal fibers (SMFInconel) filter was investigated for its favorable properties as catalytic support. The CNF were formed directly over the SMFInconel by thermal (650 degrees C) c ...
A variety of homonuclear and heteronuclear transition metal carbonyl clusters have been analyzed by ultraviolet laser desorption/ionization time-of-flight mass spectrometry. The spectra were recorded in negative and positive ion modes, using both linear an ...
A parallel study of the radical copper enzyme galactose oxidase (GOase) and a low mol. wt. analog of the active site was performed with dynamic d. functional and mixed quantum-classical calcns. This combined approach enables a direct comparison of the prop ...
Real-world vanadium-based catalysts for the selective catalytic reduction (SCR) of NO with NH3 are occasionally exposed to high temperatures, which can induce catalyst aging. In this work, a 2.0 wt% V2O5/WO3-TiO2 catalyst based on commercial WO3-TiO2 was l ...
A parallel study of the radical-copper enzyme Galactose Oxidase (GOase) and a low mol. wt. analog of the active site (Wang et. al. , Science 279, 537 (1998)) was performed with dynamical d. functional and mixed quantum-classical (QM/MM) calcns. This combin ...
