Nano, K.; Zahariou, G.; Ioannou, P.-C.; Alam, M. M.; Pantazis, D. A.; Raptopoulou, C. P.; Psycharis, V.; Sanakis, Y.; Kyritsis, P.: Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh₂}(N,N)(NO₃)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine. Polyhedron 207 (10), 115374 (2021)

Planas, O.; Cornella, J.: High-valent bismuth redox catalysis. Nachrichten aus der Chemie 69 (10), S. 79 - 83 (2021)

Reetz, M. T.: Effective Mentoring and the Problem of Assessing Quality in Science. Helvetica Chimica Acta 104 (10), e2100124 (2021)

Singh, G.; Gamboa, S.; Orio, M.; Pantazis, D. A.; Roemelt, M.: Magnetic exchange coupling in Cu dimers studied with modern multireference methods and broken-symmetry coupled cluster theory. Theoretical Chemistry Accounts 140 (10), 139 (2021)

Fürstner, A.: The Ascent of Alkyne Metathesis to Strategy-Level Status. Journal of the American Chemical Society 143 (38), S. 15538 - 15555 (2021)

Pan, H.-R.; Chen, H.-J.; Wu, Z.-H.; Ge, P.; Ye, S.; Lee, G.-H.; Hsu, H.-F.: Structural and Spectroscopic Evidence for a Side-on Fe(III)–Superoxo Complex Featuring Discrete O–O Bond Distances. JACS Au 1 (9), S. 1389 - 1398 (2021)

Reetz, M. T.; Garcia-Borràs, M.: The Unexplored Importance of Fleeting Chiral Intermediates in Enzyme-Catalyzed Reactions. Journal of the American Chemical Society 143 (37), S. 14939 - 14950 (2021)

Sönmez, T.; Belthle, K. S.; Iemhoff, A.; Uecker, J.; Artz, J.; Bisswanger, T.; Stampfer, C.; Hamzah, H. H.; Nicolae, S. A.; Titirici, M.-M. et al.; Palkovits, R.: Metal free-covalent triazine frameworks as oxygen reduction reaction catalysts – structure–electrochemical activity relationship. Catalysis Science & Technology 11 (18), S. 6191 - 6204 (2021)

Bhattacharyya, K.: Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters 779 (9), 138827 (2021)

Koehler, T.; Strauss, I.; Mundstock, A.; Caro, J.; Marlow, F.: Reversible Photoalignment of Azobenzene in the SURMOF HKUST-1. The Journal of Physical Chemistry Letters 12 (36), S. 8903 - 8908 (2021)

Amatov, T.; Tsuji, N.; Maji, R.; Schreyer, L.; Zhou, H.; Leutzsch, M.; List, B.: Confinement-Controlled, Either syn- or anti-Selective Catalytic Asymmetric Mukaiyama Aldolizations of Propionaldehyde Enolsilanes. Journal of the American Chemical Society 143 (36), S. 14475 - 14481 (2021)

Dopilka, A.; Childs, A.; Ovchinnikov, A.; Zhao, R.; Bobev, S.; Peng, X.; Chan, C. K.: Structural and Electrochemical Properties of Type VIII Ba₈Ga_16−δSn_30+δ Clathrate (δ ≈ 1) during Lithiation. ACS Applied Materials and Interfaces 13 (36), S. 42564 - 42578 (2021)

Luo, R.; Schrader, W.: Getting a better overview of a highly PAH contaminated soil: A non-targeted approach assessing the real environmental contamination. Journal of Hazardous Materials 418, 126352 (2021)

Schwengers, S. A.; De, C. K.; Grossmann, O.; Grimm, J. A. A.; Sadlowski, N. R.; Gerosa, G. G.; List, B.: Unified Approach to Imidodiphosphate-Type Brønsted Acids with Tunable Confinement and Acidity. Journal of the American Chemical Society 143 (36), S. 14835 - 14844 (2021)

Helmich-Paris, B.; de Souza, B.; Neese, F.; Izsák, R.: An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics 155 (10), 104109 (2021)

Stegmann, N.; Petersen, H.; Weidenthaler, C.; Schmidt, W.: Facile synthesis of novel, known, and low-valent transition metal phosphates via reductive phosphatization. Journal of Materials Chemistry A 9 (34), S. 18247 - 18250 (2021)

Dopilka, A.; Childs, A.; Bobev, S.; Chan, C. K.: Electrochemical Lithium Alloying Behavior of Guest-Free Type II Silicon Clathrates. The Journal of Physical Chemistry C 125 (35), S. 19110 - 19118 (2021)

Meng, Z.; Spohr, S. M.; Tobegen, S.; Farès, C.; Fürstner, A.: A Unified Approach to Polycyclic Alkaloids of the Ingenamine Estate: Total Syntheses of Keramaphidin B, Ingenamine, and Nominal Njaoamine I. Journal of the American Chemical Society 143 (35), S. 14402 - 14414 (2021)

Bähr, A.; Petersen, H.; Tüysüz, H.: Large-scale Production of Carbon-Supported Cobalt-based Functional Nanoparticles for Oxygen Evolution Reaction. ChemCatChem 13 (17), S. 3824 - 3835 (2021)

Drosou, M.; Pantazis, D. A.: Redox Isomerism in the S₃ State of the Oxygen-Evolving Complex Resolved by Coupled Cluster Theory. Chemistry – A European Journal 27 (50), S. 12815 - 12825 (2021)