Prof. Feliu Maseras

QM/MM Calculations on Selectivity in Homogeneous Catalysis

J. Jover, F. Maseras.

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

Jesús Jover, Feliu Maseras

Organometallics 2016, 35, 3221-3226 .
Stereoselective and Versatile Preparation of Tri- and Tetra-Substituted Allylic Amine Scaffolds under Mild Conditions

Wusheng Guo, Luis Martínez-Rodríguez, Rositha Kuniyil, Eddy Martin, Eduardo C. Escudero-Adán, Feliu Maseras, Arjan W. Kleij

J. Am. Chem. Soc. 2016, 138, 11970-11978.
Computational Characterization of the Origin of Selectivity in Cycloaddition Reactions Catalyzed by Phosphoric Acid Derivatives

C. Liu, M. Besora, F. Maseras

Chem. Asian J. 2016, 11, 411-416.
Cooperative Reductive Elimination: The Missing Piece in the Oxidative-Coupling Mechanistic Puzzle

I. Funes-Ardoiz, F. Maseras

Angew. Chem. Int. Ed. 2016, 55, 2764-2767.
DFT Rationalization of the Diverse Outcomes of the Iodine(III)-Mediated Oxidative Amination of Alkenes

I. Funes-Ardoiz, W. M. C. Sameera, R. M. Romero, C. Martínez, J. A. Souto, D. Sampedro, K. Muñiz, F. Maseras

Chem. Eur. J. 2016, 22, 7545-7553.