Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoOx

William A. Goddard, Adri Van Duin, Kimberly Chenoweth, Mu-Jeng Cheng, Sanja Pudar, Jonas Oxgaard, Boris Merinov, Yun Hee Jang, Petter Persson

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Engineering & Materials Science