de Souza, B.; Farias, G.; Neese, F.; Izsák, R.: Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics. Journal of Chemical Theory and Computation 15 (3), pp. 1896 - 1904 (2019)

Dral, P. O.; Wu, X.; Thiel, W.: Semiempirical Quantum-Chemical Methods with Orthogonalization and Dispersion Corrections. Journal of Chemical Theory and Computation 15 (3), pp. 1743 - 1760 (2019)

Collins, L. R.; Auris, S.; Goddard, R.; Fürstner, A.: Chiral Heterobimetallic Bismuth‐Rhodium Paddlewheel Catalysts: A Conceptually New Approach to Asymmetric Cyclopropanation. Angewandte Chemie International Edition 58 (11), pp. 3557 - 3561 (2019)

Moon, G.-H.; Yu, M.; Chan, C. K.; Tüysüz, H.: Highly Active Cobalt-Based Electrocatalysts with Facile Incorporation of Dopants for the Oxygen Evolution Reaction. Angewandte Chemie International Edition 58 (11), pp. 3491 - 3495 (2019)

Lang, J.; Brabec, J.; Saitow, M.; Pittner, J.; Neese, F.; Demel, O.: Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method. Physical Chemistry Chemical Physics 21 (9), pp. 5022 - 5038 (2019)

Thomsen, M. K.; Nyvang, A.; Walsh, J. P. S.; Bunting , P. C.; Long, J. R.; Neese, F.; Atanasov, M.; Genoni, A.; Overgaard, J.: Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. Inorganic Chemistry 58 (5), pp. 3211 - 3218 (2019)

Bingre, R.; Megias Sayago, C.; Losch, P.; Huang, L.; Wang, Q.; Pereira, M. M.; Louis, B.: Recent progress in the biomass-mediated synthesis of porous materials. Inorganica Chimica Acta 487 (3), pp. 379 - 386 (2019)

Höfler, D.; Goddard, R.; Nöthling, N.; List, B.: A Dendralenic C–H Acid. Synlett 30 (4), pp. 433 - 436 (2019)

Rinaldi, R.; Woodward, R. T.; Ferrini, P.; Rivera, H. J. E.: Lignin-First Biorefining of Lignocellulose: the Impact of Process Severity on the Uniformity of Lignin Oil Composition. Journal of the Brazilian Chemical Society 30 (3), pp. 479 - 491 (2019)

D'Amato, E. M.; Börgel, J.; Ritter, T.: Aromatic C–H amination in hexafluoroisopropanol. Chemical Science 10 (8), pp. 2424 - 2428 (2019)

Stavretis, S. E.; Cheng, Y.; Daemen, L. L.; Brown, C. M.; Moseley, D. H.; Bill, E.; Atanasov, M.; Ramirez-Cuesta, A. J.; Neese, F.; Xue, Z.-L.: Probing Magnetic Excitations in Co^II Single-Molecule Magnets by Inelastic Neutron Scattering. European Journal of Inorganic Chemistry 2019 (8), pp. 1119 - 1127 (2019)

Ouyang, J.; Kennemur, J. L.; De, C. K.; Farès, C.; List, B.: Strong and Confined Acids Enable a Catalytic Asymmetric Nazarov Cyclization of Simple Divinyl Ketones. Journal of the American Chemical Society 141 (8), pp. 3414 - 3418 (2019)

Vondung, L.; Jerabek, P.; Langer, R.: Ligands Based on Phosphine‐Stabilized Aluminum(I), Boron(I), and Carbon(0). Chemistry – A European Journal 25 (12), pp. 3068 - 3076 (2019)

Xu, R.; Kang, L.; Knossalla, J.; Mielby, J.; Wang, Q.; Wang, B.; Feng, J.; He, G.; Qin, Y.; Xie, J. et al.; Swertz, A.-C.; He, Q.; Kegnæs, S.; Brett, D. J. L.; Schüth, F.; Wang, F. R.: Nanoporous Carbon: Liquid-Free Synthesis and Geometry-Dependent Catalytic Performance. ACS Nano 13 (2), pp. 2463 - 2472 (2019)

Dong, Y.; Yao, P.; Cui, Y.; Wu, Q.; Zhu, D.; Li, G.; Reetz, M. T.: Manipulating the stereoselectivity of a thermostable alcohol dehydrogenase by directed evolution for efficient asymmetric synthesis of arylpropanols. Biological Chemistry 400 (3), pp. 313 - 321 (2019)

Yu, M.; Moon, G.; Bill, E.; Tüysüz, H.: Optimizing Ni–Fe Oxide Electrocatalysts for Oxygen Evolution Reaction by Using Hard Templating as a Toolbox. ACS Applied Energy Materials 2 (2), pp. 1199 - 1209 (2019)

Neese, F.; Atanasov, M.; Bistoni, G.; Maganas, D.; Ye, S.: Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers. Journal of the American Chemical Society 141 (7), pp. 2814 - 2824 (2019)

Sirohiwal, A.; Neese, F.; Pantazis, D. A.: Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer. Journal of the American Chemical Society 141 (7), pp. 3217 - 3231 (2019)

Reetz, M. T.: Directed Evolution of Artificial Metalloenzymes: A Universal Means to Tune the Selectivity of Transition Metal Catalysts? Accounts of Chemical Research 52 (2), pp. 336 - 344 (2019)

Clauberg, M. H.; Schmidt, D.; Rust, J.; Lehmann, C. W.; Arefyeva, N.; Wickleder, M.; Mohr, F.: Nickel(II) NHC-complexes with tridentate, dianionic ligands. Journal of Organometallic Chemistry 881 (2), pp. 45 - 50 (2019)