Cheng, J.; Liu, J.; Leng, X.; Lohmiller, T.; Schnegg, A.; Bill, E.; Ye, S.; Deng, L.: A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C–H Bond Activation. Inorganic Chemistry 58 (11), pp. 7634 - 7644 (2019)

Kollmar, C.; Sivalingam, K.; Helmich-Paris, B.; Angeli, C.; Neese, F.: A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry 40 (14), pp. 1463 - 1470 (2019)

Owens, A.; Yachmenev, A.; Küpper, J.; Yurchenko, S. N.; Thiel, W.: The rotation–vibration spectrum of methyl fluoride from first principles. Physical Chemistry Chemical Physics 21 (7), pp. 3496 - 3505 (2019)

Jerabek, P.; Smits, O. R.; Mewes, J.-M.; Peterson, K. A.; Schwerdtfeger, P.: Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory. The Journal of Physical Chemistry A 123 (19), pp. 4201 - 4211 (2019)

Ortmeyer, J.; Bodach, A.; Sandig-Predzymirska, L.; Zibrowius, B.; Mertens, F.; Felderhoff, M.: Direct Hydrogenation of Aluminum via Stabilization with Triethylenediamine: A Mechanochemical Approach to Synthesize the Triethylenediamine ⋅ AlH₃ Adduct. ChemPhysChem 20 (10), pp. 1360 - 1368 (2019)

Cuenú, F.; Restrepo-Acevedo, A.; Isabel-Murillo, M.; Torres, J. E.; Moreno-Fuquen, R.; Abonia, R.; Kennedy, A. R.; Tenorio, J. C.; Lehmann, C. W.: Synthesis, structural characterization, and theoretical studies of new pyrazole (E)-2-{[(5-(tert-butyl)-1H-pyrazol-3-yl)imino]methyl}phenol and (E)-2-{[(1-(4-bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-yl]imino]methyl}phenol. Journal of Molecular Structure 1184 (5), pp. 59 - 71 (2019)

Wang, D.; Leng, X.; Ye, S.; Deng, L.: Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C–N Bond Cleavage on Low-Coordinate Cobalt(0) Species. Journal of the American Chemical Society 141 (19), pp. 7731 - 7735 (2019)

Xu, J.; Cen, Y.; Singh, W.; Fan, J.; Wu, L.; Lin, X.; Zhou, J.; Huang, M.; Reetz, M. T.; Wu, Q.: Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. Journal of the American Chemical Society 141 (19), pp. 7934 - 7945 (2019)

Salla, C. A. M.; Teixeira dos Santos, J.; Farias, G.; Bortoluzi, A. J.; Curcio, S. F.; Cazati, T.; Izsák, R.; Neese, F.; de Souza, B.; Bechthold, I. H.: New Boron(III) Blue Emitters for All-Solution Processed OLEDs: Molecular Design Assisted by Theoretical Modeling. European Journal of Inorganic Chemistry 2019 (17), pp. 2247 - 2257 (2019)

Helmich-Paris, B.: CASSCF linear response calculations for large open-shell molecules. The Journal of Chemical Physics 150 (17), 174121 (2019)

Zhong, H.; Ouyang, L.; Zeng, M.; Liu, J.; Wang, H.; Shao, H.; Felderhoff, M.; Zhu, M.: Realizing facile regeneration of spent NaBH₄ with Mg–Al alloy. Journal of Materials Chemistry A 7 (17), pp. 10723 - 10728 (2019)

Lee, Y. H.; Morandi, B.: Palladium‐Catalyzed Intermolecular Aryliodination of Internal Alkynes. Angewandte Chemie International Edition 58 (19), pp. 6444 - 6448 (2019)

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. et al.; Lu, C. C.: Enhanced Fe-Centered Redox Flexibility in Fe–Ti Heterobimetallic Complexes. Inorganic Chemistry 58 (9), pp. 6199 - 6214 (2019)

Jin, H.; Fürstner, A.: Regioselective trans-Carboboration of Propargyl Alcohols. Organic Letters 21 (9), pp. 3446 - 3450 (2019)

Fang, X.; Yu, P.; Willems, S.; Morandi, B.: Nickel‐Catalyzed Cascade Annulation for the Rapid Synthesis of Carbocyclic Nitriles. Helvetica Chimica Acta 102 (5), e1900059 (2019)

Lee, Y. H.; Morandi, B.: Transition metal-mediated metathesis between P–C and M–C bonds: Beyond a side reaction. Coordination Chemistry Reviews 386 (5), pp. 96 - 118 (2019)

Margraf, J. T.; Dral, P. O.: What is semiempirical molecular orbital theory approximating? Journal of Molecular Modeling 25 (5), 119 (2019)

Pantazis, D. A.: Assessment of Double-Hybrid Density Functional Theory for Magnetic Exchange Coupling in Manganese Complexes. Inorganics 7 (5 ), 57 (2019)

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 2 (5), 1800201 (2019)

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 150 (16), 164123 (2019)