Zeitschriftenartikel (163)
2020
Zeitschriftenartikel
Yu, M.; ; Chan, C. K.; Weidenthaler, C.; ; Tüysüz, H. Laser Fragmentation‐Induced Defect‐Rich Cobalt Oxide Nanoparticles for Electrochemical Oxygen Evolution Reaction. ChemSusChem 2020, 13, 520–528.
Zeitschriftenartikel
Lang, L.; Atanasov, M.; Neese, F. Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory. The Journal of Physical Chemistry A 2020, 124, 1025–1037.
Zeitschriftenartikel
Liu, S.; Klussmann, M. Acid promoted radical-chain difunctionalization of styrenes with stabilized radicals and (N,O)-nucleophiles. Chemical Communications 2020, 56, 1557–1560.
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Käldström, M.; ; Kaufman Rechulski, M. D.; Utilization of mechanocatalytic oligosaccharides by ethanologenic Escherichia coli as a model microbial cell factory. AMB Express 2020, 10, 28.
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Zeitschriftenartikel
Aukland, M.; ; ; ; Metal-free photoredox-catalysed formal C–H/C–H coupling of arenes enabled by interrupted Pummerer activation. Nature Catalysis 2020, 3, 163–169.
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Jung, J.; ; ; ; Bill, E.; Bistoni, G.; ; Atanasov, M.; ; Neese, F. Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society 2020, 142, 1864–1870.
Zeitschriftenartikel
Reetz, M. T. P450-BM3-Catalyzed Sulfoxidation versus Hydroxylation: A Common or Two Different Catalytically Active Species? Journal of the American Chemical Society 2020, 142, 2068–2073.
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Delcaillau, T.; ; Lian, Z.; Morandi, B. Nickel‐Catalyzed Inter‐ and Intramolecular Aryl Thioether Metathesis by Reversible Arylation. Angewandte Chemie, International Edition 2020, 59, 2110–2114.
Zeitschriftenartikel
Xu, P.; Zhao, D.; Berger, F.; Hamad, A.; Rickmeier, J.; Petzold, R.; Kondratiuk, M.; Bohdan, K.; Ritter, T. Site‐Selective Late‐Stage Aromatic [18F]Fluorination via Aryl Sulfonium Salts. Angewandte Chemie, International Edition 2020, 59, 1956–1960.
Zeitschriftenartikel
Bistoni, G.; Neese, F.; ; Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] Hydrogenase. Journal of the American Chemical Society 2020, 142, 1457–1464.
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Chilkuri, V. G.; DeBeer, S.; Neese, F. Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers. Inorganic Chemistry 2020, 59, 984–995.
Zeitschriftenartikel
Rolfes, J. D.; van Gastel, M.; Neese, F. Where Is the Fluoro Wall?: A Quantum Chemical Investigation. Inorganic Chemistry 2020, 59, 1556–1565.
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Planas, O.; Wang, F.; Leutzsch, M.; Cornella, J. Fluorination of arylboronic esters enabled by bismuth redox catalysis. Science 2020, 367, 313–317.
Zeitschriftenartikel
Liakos, D. G.; ; ; ; Short-Range Disorder in TeO2 Melt and Glass. The Journal of Physical Chemistry Letters 2020, 11, 427–431.
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Berraud-Pache, R.; Neese, F.; Bistoni, G.; Izsák, R. Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method. Journal of Chemical Theory and Computation 2020, 16, 564–575.
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Guo, Y.; ; Liakos, D. G.; Becker, U.; ; Neese, F. Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T0/T)]. The Journal of Chemical Physics 2020, 152, 024116.
Zeitschriftenartikel
Liakos, D. G.; Guo, Y.; Neese, F. Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems. The Journal of Physical Chemistry A 2020, 124, 90–100.
Zeitschriftenartikel
Lang, L.; Sivalingam, K.; Neese, F. The combination of multipartitioning of the Hamiltonian with canonical Van Vleck perturbation theory leads to a Hermitian variant of quasidegenerate N-electron valence perturbation theory. The Journal of Chemical Physics 2020, 152, 014109.
Zeitschriftenartikel
Goddard, R.; ; ; Synthetic and mechanistic studies in enantioselective allylic substitutions catalysed by palladium complexes of a modular class of axially chiral quinazoline-containing ligands. Tetrahedron 2020, 76, 130780.
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Li, J.; Chen, J.; Sang, R.; Ham, W.-S.; Plutschack, M. B.; Berger, F.; ; ; ; Ritter, T. Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination. Nature Chemistry 2020, 12, 56–62.