QM/MM Calculations on Selectivity in Homogeneous Catalysis
BOOK CHAPTER In: "Computational Studies in Organometallic Chemistry", Springer, 2016, 3, 167, 59-79, (ISBN: 978-3-319-31638-3)
Mechanistic investigation of Ir-catalyzed CH borylation of methyl benzoate: ligand eects in regioselectivity and activity
Organometallics 2016, 35, 3221-3226 .
Stereoselective and Versatile Preparation of Tri- and Tetra-Substituted Allylic Amine Scaffolds under Mild Conditions
J. Am. Chem. Soc. 2016, 138, 11970-11978.
Computational Characterization of the Origin of Selectivity in Cycloaddition Reactions Catalyzed by Phosphoric Acid Derivatives
Chem. Asian J. 2016, 11, 411-416.
Cooperative Reductive Elimination: The Missing Piece in the Oxidative-Coupling Mechanistic Puzzle
Angew. Chem. Int. Ed. 2016, 55, 2764-2767.
DFT Rationalization of the Diverse Outcomes of the Iodine(III)-Mediated Oxidative Amination of Alkenes
Chem. Eur. J. 2016, 22, 7545-7553.