Feliu Maseras

IMOMM: A new integrated <i>ab initio</i> + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

Feliu Maseras, Keiji Morokuma · Journal of Computational Chemistry · 1995 · 1.7K citations

Transition States, Engineering, Physics +13

Proton Abstraction Mechanism for the Palladium-Catalyzed Intramolecular Arylation

Domingo García‐Cuadrado, Ataualpa Albert Carmo Braga, Feliu Maseras et al. · Journal of the American Chemical Society · 2006 · 732 citations

Chemical Engineering, Proton Abstraction Mechanism, Engineering +10

Managing the Computational Chemistry Big Data Problem: The <b>ioChem-BD</b> Platform

Moises Álvarez‐Moreno, Coen de Graaf, Núria López et al. · Journal of Chemical Information and Modeling · 2014 · 593 citations · Full text

Engineering, Iochem-bd Platform, Chemical Analysis +21

Proton-Abstraction Mechanism in the Palladium-Catalyzed Intramolecular Arylation:  Substituent Effects

Domingo García‐Cuadrado, Paula de Mendoza, Ataualpa Albert Carmo Braga et al. · Journal of the American Chemical Society · 2007 · 534 citations

Asymmetric Catalysis, Chemical Engineering, Cross-coupling Reaction +11

Direct Arylation of Arene C−H Bonds by Cooperative Action of NHCarbene−Ruthenium(II) Catalyst and Carbonate via Proton Abstraction Mechanism

Christophe Gourlaouen, Feliu Maseras, Christian Bruneau et al. · Journal of the American Chemical Society · 2008 · 382 citations · Full text

Chemical Engineering, Proton Abstraction Mechanism, Engineering +10