Supporting Information Computational Characterization of the Role of the Base in the Suzuki-Miyaura Cross-Coupling Reaction Ataualpa A. C. Braga †,‡ , Nelson H. Morgon ‡ , Gregori Ujaque *,† , Feliu Maseras *,†,§ † Unitat de Qu´ ımica F´ ısica C.n, Universitat Aut` onoma de Barcelona, 08193 Bellaterra Catalo- nia, Spain, § Institute of Chemical Research of Catalonia (ICIQ), 43007, Tarragona, Catalonia, Spain and ‡ Instituto de Qu´ ımica, Universidade Estadual de Campinas, 13083-970, Campinas- SP, Brazil, CP 6154 E-mail: gregori@klingon.uab.es, fmaseras@iciq.es Contents 1 References S2 2 Cartesian Coordinates (in ˚ A) and Absolute Energies (in a.u.). S3 3 Cartesian Coordinates (in ˚ A) and Absolute Energies (in a.u.) in systems with bulky P(Ph) 3 group. S20 S1