Zeitschriftenartikel (183)

2019
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Lee, Y. H.; Morandi, B. Palladium‐Catalyzed Intermolecular Aryliodination of Internal Alkynes. Angewandte Chemie International Edition 2019, 58, 6444–6448.
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Moore, J. T.; Chatterjee, S.; Tarrago, M. F. X.; Clouston, L. J.; Sproules, S.; Bill, E.; Bernales, V.; Gagliardi, L.; Ye, S.; Lancaster, K. M.; Lu, C. C. Enhanced Fe-Centered Redox Flexibility in Fe–Ti Heterobimetallic Complexes. Inorganic Chemistry 2019, 58, 6199–6214.
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Jin, H.; Fürstner, A. Regioselective trans-Carboboration of Propargyl Alcohols. Organic Letters 2019, 21, 3446–3450.
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Fang, X.; Yu, P.; Willems, S.; Morandi, B. Nickel‐Catalyzed Cascade Annulation for the Rapid Synthesis of Carbocyclic Nitriles. Helvetica Chimica Acta 2019, 102, e1900059.
Zeitschriftenartikel
Lee, Y. H.; Morandi, B. Transition metal-mediated metathesis between P–C and M–C bonds: Beyond a side reaction. Coordination Chemistry Reviews 2019, 386, 96–118.
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Margraf, J. T.; Dral, P. O. What is semiempirical molecular orbital theory approximating? Journal of Molecular Modeling 2019, 25, 119.
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Pantazis, D. A. Assessment of Double-Hybrid Density Functional Theory for Magnetic Exchange Coupling in Manganese Complexes. Inorganics 2019, 7, 57.
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Roemelt, M.; Pantazis, D. A. Multireference Approaches to Spin‐State Energetics of Transition Metal Complexes Utilizing the Density Matrix Renormalization Group. Advanced Theory and Simulations 2019, 2, 1800201.
Zeitschriftenartikel
Dutta, A. K.; Saitow, M.; Demoulin, B. F. F.; Neese, F.; Izsák, R. A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states. The Journal of Chemical Physics 2019, 150, 164123.
Zeitschriftenartikel
Pinski, P.; Neese, F. Analytical gradient for the domain-based local pair natural orbital second order Møller-Plesset perturbation theory method (DLPNO-MP2). The Journal of Chemical Physics 2019, 150, 164102.
Zeitschriftenartikel
Morais, E. K. L.; Jiménez-Sánchez, S.; Hernando, H.; Ochoa-Hernández, C.; Pizarro, P.; Araujo, A. S.; Serrano, D. P. Catalytic Copyrolysis of Lignocellulose and Polyethylene Blends over HBeta Zeolite. Industrial and Engineering Chemistry Research 2019, 58, 6243–6254.
Zeitschriftenartikel
Pantazis, D. A. The S3 State of the Oxygen-Evolving Complex: Overview of Spectroscopy and XFEL Crystallography with a Critical Evaluation of Early-Onset Models for O–O Bond Formation. Inorganics 2019, 7, 55.
Zeitschriftenartikel
Džambaski, Z.; Tzaras, D.-I.; Lee, S.; Kokotos, C. G.; Bondzic, B. P. Enantioselective Organocatalytic Enamine C−H Oxidation/Diels‐ Alder Reaction. Advanced Synthesis & Catalysis 2019, 361, 1792–1797.
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Kalläne, S. I.; Hahn, A. W.; Weyhermüller, T.; Bill, E.; Neese, F.; DeBeer, S.; van Gastel, M. Spectroscopic and Quantum Chemical Investigation of Benzene-1,2-dithiolate-Coordinated Diiron Complexes with Relevance to Dinitrogen Activation. Inorganic Chemistry 2019, 58, 5111–5125.
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Chrysina, M.; De Mendonça Silva, J. C.; Zahariou, G.; Pantazis, D. A.; Ionnidis, N. Proton Translocation via Tautomerization of Asn298 During the S2–S3 State Transition in the Oxygen-Evolving Complex of Photosystem II. The Journal of Physical Chemistry B 2019, 123, 3068–3078.
Zeitschriftenartikel
Yu, D.; Wang, J.-bo; Reetz, M. T. Exploiting Designed Oxidase–Peroxygenase Mutual Benefit System for Asymmetric Cascade Reactions. Journal of the American Chemical Society 2019, 141, 5655–5658.
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Haldar, S.; Riplinger, C.; Demoulin, B. F. F.; Neese, F.; Izsak, R.; Dutta, A. K. Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application. Journal of Chemical Theory and Computation 2019, 15, 2265–2277.
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Ma, W.; Qiao, Y.; Theyssen, N.; Zhou, Q.; Li, D.; Ding, B.; Wang, D.; Hou, Z. A mononuclear tantalum catalyst with a peroxocarbonate ligand for olefin epoxidation in compressed CO2. Catalysis Science & Technology 2019, 9, 1621–1630.
Zeitschriftenartikel
Breidung, J.; Thiel, W. Equilibrium Structures of Pyrazine, s-Triazine, and s-Tetrazine. The Journal of Physical Chemistry C 2019, 123, 7940–7951.
Zeitschriftenartikel
Oberem, E.; Roesel, A. F.; Rosas-Hernández, A.; Kull, T.; Fischer, S.; Spannenberg, A.; Junge, H.; Beller, M.; Ludwig, R.; Roemelt, M.; Francke, R. Mechanistic Insights into the Electrochemical Reduction of CO2 Catalyzed by Iron Cyclopentadienone Complexes. Organometallics 2019, 38, 1236–1247.
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