Publications

Harden, I.; Neese, F.; Bistoni, G. An Induced-Fit Model for Asymmetric Organocatalytic Reactions: a Case Study of the Activation of Olefins Via Chiral Brønsted Acid Catalysts. Chemical Science 2022, 13, 8848–8859.

Eckhardt, A. K.; Riu, M.-L. Y.; Ye, M.; Müller, P.; Bistoni, G.; Cummins, C. C. Taming Phosphorus Mononitride. Nature Chemistry 2022, 14, 928–934.

Bruno, G.; de Souza, B.; Neese, F.; Bistoni, G. Can Domain-Based Local Pair Natural Orbitals Approaches Accurately Predict Phosphorescence Energies? Physical Chemistry Chemical Physics 2022, 24, 14228–14241.

Caló, F. P.; Zimmer, A.; Bistoni, G.; Fürstner, A. From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation. Journal of the American Chemical Society 2022, 144, 7465–7478.

Altun, A.; Neese, F.; Bistoni, G. Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies. Journal of Chemical Theory and Computation 2022, 18, 2292–2307.

Chatterjee, S.; Harden, I.; Bistoni, G.; Castillo, R. G.; Chabbra, S.; van Gastel, M.; Schnegg, A.; Bill, E.; Birrell, J. A.; Morandi, B.; Neese, F.; DeBeer, S. A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N–O Reagent as the “Amino” Source and “Oxidant.” Journal of the American Chemical Society 2022, 144, 2637–2656.