Journal Article (163)

2020
Journal Article
Yu, M.; Waag, F.; Chan, C. K.; Weidenthaler, C.; Barcikowski, S.; Tüysüz, H. Laser Fragmentation‐Induced Defect‐Rich Cobalt Oxide Nanoparticles for Electrochemical Oxygen Evolution Reaction. ChemSusChem 2020, 13, 520–528.
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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.
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Liu, S.; Klussmann, M. Acid Promoted Radical-Chain Difunctionalization of Styrenes with Stabilized Radicals and (N,O)-Nucleophiles. Chemical Communications 2020, 56, 1557–1560.
Journal Article
Jin, T.; Käldström, M.; Benavides, A.; Kaufman Rechulski, M. D.; Jarboe, L. R. Utilization of Mechanocatalytic Oligosaccharides by Ethanologenic Escherichia Coli as a Model Microbial Cell Factory. AMB Express 2020, 10, 28.
Journal Article
Aukland, M.; Šiaučiulis, M.; West, A.; Perry, G. J. P.; Procter, D. J. 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.; Löffler, S. T.; Langmann, J.; Heinemann, F. W.; Bill, E.; Bistoni, G.; Scherer, W.; Atanasov, M.; Meyer, K.; Neese, F. Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society 2020, 142, 1864–1870.
Journal Article
Wang, J.-bo; Huang, Q.; Peng, W.; Wu, P.; Yu, D.; Chen, B.; Wang, B.; 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.
Journal Article
Delcaillau, T.; Bismuto, A.; Lian, Z.; Morandi, B. Nickel‐Catalyzed Inter‐ and Intramolecular Aryl Thioether Metathesis by Reversible Arylation. Angewandte Chemie, International Edition 2020, 59, 2110–2114.
Journal Article
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.
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Schulz, A.-C.; Frielingsdorf, S.; Pommerening, P.; Lauterbach, L.; Bistoni, G.; Neese, F.; Oestreich, M.; Lenz, O. Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] Hydrogenase. Journal of the American Chemical Society 2020, 142, 1457–1464.
Journal Article
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.
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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.
Journal Article
Aldermann, O. L. G.; Benmore, C. J.; Feller, S.; Kamitsos, E. I.; Simandiras, E. D.; Liakos, D. G.; Jesuit, M.; Boyd, M.; Packard, M.; Weber, R. 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.
Journal Article
Guo, Y.; Riplinger, C.; Liakos, D. G.; Becker, U.; Saitow, M.; 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.
Journal Article
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.
Journal Article
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.
Journal Article
Carroll, A.-M.; McCarthy, M.; Lacey, P. M.; Saunders, C. P.; Connolly, D. J.; Farrell, A.; Rokade, B. V.; Goddard, R.; Fristrup, P.; Norrby, P.-O.; Guiry, P. J. 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.
Journal Article
Li, J.; Chen, J.; Sang, R.; Ham, W.-S.; Plutschack, M. B.; Berger, F.; Chabbra, S.; Schnegg, A.; Genicot, C.; Ritter, T. Photoredox Catalysis with Aryl Sulfonium Salts Enables Site-Selective Late-Stage Fluorination. Nature Chemistry 2020, 12, 56–62.
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