Journal Article (187)

41.
Journal Article
Dutta, A. K.; Nooijen, M.; Neese, F.; Izsak, R.: Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies. Journal of Chemical Theory and Computation 14 (1), pp. 72 - 91 (2018)
42.
Journal Article
Dutta, A. K.; Neese, F.; Izsák, R.: Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation. Molecular Physics 116 (11), pp. 1428 - 1434 (2018)
43.
Journal Article
Dutta, I.; Yadav, S.; Sarbajna, A.; De, S.; Hölscher, M.; Leitner, W.; Bera, J. K.: Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality. Journal of the American Chemical Society 140 (28), pp. 8662 - 8666 (2018)
44.
Journal Article
Dutta, A. K.; Saitow, M.; Riplinger, C.; Neese, F.; Izsák, R.: A nearlinear scaling equation of motion coupled cluster method for ionized states. The Journal of Chemical Physics 148 (24), 244101, pp. 244101-1 - 244101-14 (2018)
45.
Journal Article
Emondts, M.; Schikowski, D.; Klankermayer, J.; Schleker, P.: Non-Pairwise Interactions in Parahydrogen Experiments: Nuclear Exchange of Single Protons Enables Bulk Water Hyperpolarization. Physical Chemistry Chemical Physics (19), pp. 2614 - 2620 (2018)
46.
Journal Article
Erken, C.; Kaithal, A.; Sen, S.; Weyhermüller, T.; Hölscher, M.; Werlé, C.; Leitner, W.: Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups. Nature Communications 4521 (9) (2018)
47.
Journal Article
Esteban, J.; Gonzalez-Miquel, M.: Thermodynamic insights on the viscometric and volumetric properties of binary mixtures of ketals and polyols. Journal of Molecular Liquids 263, pp. 125 - 138 (2018)
48.
Journal Article
Esteban, J.; Yustos, P.; Ladero, M.: Catalytic Processes from Biomass-Derived Hexoses and Pentoses. Catalysts 8 (12), 637, pp. 637/1 - 637/39 (2018)
49.
Journal Article
Faßbach, T. A.; Sommer, F. O.; Vorholt, A. J.: Hydroaminomethylation in Aqueous Solvent Systems - An Efficient Pathway to Highly Functionalized Amines. Advanced Synthesis & Catalysis 360 (7), pp. 1473 - 1482 (2018)
50.
Journal Article
Faßbach, T. A.; Püschel, S.; Behr, A.; Romanski, S.; Leinweber, D.; Vorholt, A. J.: Towards a process for the telomerization of butadiene with N-methylglucamine. Chemical Engineering Science 181, pp. 122 - 131 (2018)
51.
Journal Article
Freibert, S.-A.; Weiler, B. D.; Bill, E.; Pierik, A. J.; Mühlenhoff, U.; Lill, R.: Biochemical Reconstitution and Spectroscopic Analysis of Iron-Sulfur Proteins. Methods in Enzymology 599, pp. 197 - 226 (2018)
52.
Journal Article
Fuchs, S.; Lichte, D.; Jolmes, T.; Rösler, T.; Meier, G.; Strutz, H.; Behr, A.; Vorholt, A. J.: Synthesis of Industrial Primary Diamines via Intermediate Diols - Combining Hydroformylation, Hydrogenation and Amination. ChemCatChem 10 (18), pp. 4126 - 4133 (2018)
53.
Journal Article
Gabrysch, T.; Peng, B.; Bunea, S.; Dyker, G.; Muhler, M.: The Role of Metallic Copper in the Selective Hydrodeoxygenation of Glycerol to 1,2-Propanediol over Cu/ZrO2. ChemCatChem 10 (6), pp. 1344 - 1350 (2018)
54.
Journal Article
Galle, L. M.; Cutsail III, G. E.; Nischwitz, V.; DeBeer, S.; Span, I.: Spectroscopic characterization of the Co-substituted C-terminal domain of rubredoxin-2. Biological Chemistry; W. de Gruyter, Berlin 399 (7), pp. 787 - 798 (2018)
55.
Journal Article
Ganesamoorthy, C.; Helling, C.; Wolper, C.; Frank, W.; Bill, E.; Cutsail, G. E.; Schulz, S.: From stable Sb- and Bi-centered radicals to a compound with a Ga=Sb double bond. Nature Communications 9 (87), 87, pp. 87-1 - 87-8 (2018)
56.
Journal Article
Gehrke, S.; von Domaros, M.; Clark, R.; Holloczki, O.; Brehm, M.; Welton, T.; Luzar, A.; Kirchner, B.: Structure and lifetimes in ionic liquids and their mixtures. Faraday Discussions 206, pp. 219 - 245 (2018)
57.
Journal Article
Gehrke, S.; Holloczki, O.: Hydrogen Bonding of N-Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization. Chemistry – A European Journal 24 (45), pp. 11594 - 11604 (2018)
58.
Journal Article
Geier, D.; Schmitz, P.; Walkowiak, J.; Leitner, W.; Francio, G.: Continuous Flow Asymmetric Hydrogenation with Supported Ionic Liquid Phase Catalysts Using Modified CO2 as the Mobile Phase: from Model Substrate to an Active Pharmaceutical Ingredient. ACS Catalysis 8 (4), pp. 3297 - 3303 (2018)
59.
Journal Article
Genovese, C.; Schuster, M. E.; Gibson, E. K.; Gianolio, D.; Posligua, V.; Grau-Crespo, V.; Cibin, G.; Wells, P. P.; Garai, D.; Solokha, V. et al.; Calderon, S. K.; Velasco-Velez, J. J.; Ampelli, C.; Perathoner, S.; Held, G.; Centi, G.; Arrigo, R.: Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon. Nature Communications 9, 935, pp. 935-1 - 935-12 (2018)
60.
Journal Article
Gottschalk, H. C.; Poblotzki, A.; Suhm, M.; Al-Mogren, M.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F. et al.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzer, C.; Jansen, G.; Klopper, W.; Kopp, W.; Kröger, L.; Leonhard, K.; Mouhib, H.; Neese, F.; Pereira, M. N.; Ulusoy, I.; Wuttke, A.; Mata, R.: The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics 148 (1), 014301, pp. 014301-1 - 014301-13 (2018)
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