Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation

ReaxFF:  A Reactive Force Field for Hydrocarbons

Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations

Natural Sciences, Chemistry, Physics +17

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A · 2008 · 2.6K citations

Natural Sciences, Chemistry, Physics +17

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam et al. · npj Computational Materials · 2016 · 2.3K citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Catalytic combustion of VOCs over a series of manganese oxide catalysts

Sang Chai Kim, Wang Geun Shim · Applied Catalysis B: Environmental · 2010 · 722 citations

Engineering, Chemical Engineering, Chemistry +14

The role of lattice oxygen on the activity of manganese oxides towards the oxidation of volatile organic compounds

Vera P. Santos, M. Fernando R. Pereira, J.J.M. Órfão et al. · Applied Catalysis B: Environmental · 2010 · 638 citations

Natural Sciences, Chemistry, Materials Science +11