First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross-Coupling in Water Solvent: Oxidative Addition Step.

Autor: Teruo Hirakawa, Yuta Uramoto, Daisuke Mimura, Atsuya Takeda, Susumu Yanagisawa, Takashi Ikeda, Kouji Inagaki, Yoshitada Morikawa
Zdroj: Journal of Physical Chemistry B; Jan2017, Vol. 121 Issue 1, p164-173, 10p
Databáze: Supplemental Index