Journal Article (163)

2020
Journal Article
Cao, Z.; Ouyang, L.; Felderhoff, M.; Zhu, M. Low Temperature Dehydrogenation Properties of Ammonia Borane Within Carbon Nanotube Arrays: a Synergistic Effect of Nanoconfinement and Alane. RSC Advances 2020, 10, 19027–19033.
Journal Article
Balasubramani, S. G.; Chen, G. P.; Coriani, S.; Diedenhofen, M.; Frank, M. S.; Franzke, Y. J.; Furche, F.; Grotjahn, R.; Harding, M. E.; Hättig, C.; Hellweg, A.; Helmich-Paris, B.; Holzer, C.; Huniar, U.; Kaupp, M.; Marefat Khah, A.; Karbalaei Khani, S.; Müller, T.; Mack, F.; Nguyen, B. D.; Parker, S. M.; Perlt, E.; Rappoport, D.; Reiter, K.; Roy, S.; Rückert, M.; Schmitz, G.; Sierka, M.; Tapavicza, E.; Tew, D. P.; van Wüllen, C.; Voora, V. K.; Weigend, F.; Wodyński, A.; Yu, J. M. TURBOMOLE: Modular Program Suite for Ab Initio Quantum-Chemical and Condensed-Matter Simulations. The Journal of Chemical Physics 2020, 152, 184107.
Journal Article
Fritzsche, A.-M.; Scholz, S.; Krasowska, M.; Bhattacharyya, K.; Toma, A. M.; Silvestru, C.; Korb, M.; Rüffer, T.; Lang, H.; Auer, A. A.; Mehring, M. Evaluation of Bismuth-Based Dispersion Energy Donors – Synthesis, Structure and Theoretical Study of 2-Biphenylbismuth(Iii) Derivatives. Physical Chemistry Chemical Physics 2020, 22, 10189–10211.
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Pérez-Palau, M.; Cornella, J. Synthesis of Sulfonyl Fluorides from Sulfonamides. European Journal of Organic Chemistry 2020, 2020, 2497–2500.
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Izsák, R. Single‐Reference Coupled Cluster Methods for Computing Excitation Energies in Large Molecules: The Efficiency and Accuracy of Approximations. Wiley Interdisciplinary Reviews: Computational Molecular Science 2020, 10, e1445.
Journal Article
Lux, M.; Klussmann, M. Additions of Aldehyde-Derived Radicals and Nucleophilic N-Alkylindoles to Styrenes by Photoredox Catalysis. Organic Letters 2020, 22, 3697–3701.
Journal Article
Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A.; Pérez, C.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzner, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Krasowska, M.; Kröger, L. C.; Leonhard, K.; Mogren Al-Mogren, M.; Mouhib, H.; Neese, F.; Pereira, M. N.; Prakash, M.; Ulusoy, I. S.; Mata, R. A.; Suhm, M. A.; Schnell, M. The First Microsolvation Step for Furans: New Experiments and Benchmarking Strategies. The Journal of Chemical Physics 2020, 152, 164303.
Journal Article
Kondyli, A.; Schrader, W. Evaluation of the Combination of Different Atmospheric Pressure Ionization Sources for the Analysis of Extremely Complex Mixtures. Rapid Communications in Mass Spectrometry 2020, 34, e8676.
Journal Article
Spiller, N.; Chilkuri, V. G.; DeBeer, S.; Neese, F. Sulfur Vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis. European Journal of Inorganic Chemistry 2020, 2020, 1525–1538.
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Kim, J.; Pfänder, N.; Prieto, G. Recycling of CO2 by Hydrogenation of Carbonate Derivatives to Methanol: Tuning Copper–Oxide Promotion Effects in Supported Catalysts. ChemSusChem 2020, 13, 2043–2052.
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Bistoni, G. Finding Chemical Concepts in the Hilbert Space: Coupled Cluster Analyses of Noncovalent Interactions. Wiley Interdisciplinary Reviews: Computational Molecular Science 2020, 10, e1442.
Journal Article
Clemente, G. S.; Rickmeier, J.; Antunes, I. F.; Zarganes-Tzitzikas, T.; Dömling, A.; Ritter, T.; Elsinga, P. H. [18F]Atorvastatin: Synthesis of a Potential Molecular Imaging Tool for the Assessment of Statin-Related Mechanisms of Action. EJNMMI Research 2020, 10, 34.
Journal Article
Flöser, B. M.; Guo, Y.; Riplinger, C.; Tuczek, F.; Neese, F. Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics. Journal of Chemical Theory and Computation 2020, 16, 2224–2235.
Journal Article
Lorenz, J.; Yu, M.; Tüysüz, H.; Harms, C.; Dyck, A.; Wittstock, G. Coulometric Titration of Active Sites at Mesostructured Cobalt Oxide Spinel by Surface Interrogation Mode of Scanning Electrochemical Microscopy. The Journal of Physical Chemistry C 2020, 124, 7737–7748.
Journal Article
Izquierdo, M. A.; Tarantelli, F.; Broer, R.; Bistoni, G.; Belpassi, L.; Havenith, R. W. A. Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes. European Journal of Inorganic Chemistry 2020, 2020, 1177–1183.
Journal Article
Garcia-Ratés, M.; Neese, F. Effect of the Solute Cavity on the Solvation Energy and its Derivatives Within the Framework of the Gaussian Charge Scheme. Journal of Computational Chemistry 2020, 41, 922–939.
Journal Article
Heinrich, M.; Murphy, J. J.; Ilg, M. K.; Letort, A.; Flasz, J. T.; Philipps, P.; Fürstner, A. Chagosensine: A Riddle Wrapped in a Mystery Inside an Enigma. Journal of the American Chemical Society 2020, 142, 6409–6422.
Journal Article
Preiner, M.; Igarashi, K.; Muchowska, K. B.; Yu, M.; Varma, S. J.; Kleinermanns, K.; Nobu, M. K.; Kamagata, Y.; Tüysüz, H.; Moran, J.; Martin, W. F. A Hydrogen-Dependent Geochemical Analogue of Primordial Carbon and Energy Metabolism. Nature Ecology & Evolution 2020, 4, 534–542.
Journal Article
Chen, J.; Li, J.; Plutschack, M. B.; Berger, F.; Ritter, T. Regio‐ and Stereoselective Thianthrenation of Olefins To Access Versatile Alkenyl Electrophiles. Angewandte Chemie, International Edition 2020, 59, 5616–5620.
Journal Article
Sarma, B. B.; Kim, J.; Amsler, J.; Agostini, G.; Weidenthaler, C.; Pfänder, N.; Arenal, R.; Concepción, P.; Plessow, P.; Studt, F.; Prieto, G. One-Pot Cooperation of Single-Atom Rh and Ru Solid Catalysts for a Selective Tandem Olefin Isomerization-Hydrosilylation Process. Angewandte Chemie, International Edition 2020, 59, 5806–5815.
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