Molecular-scale elucidating of lignocellulose biomass char steam gasification for ultimately converting to syngas

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

Abiotic and Microbial Oxidation of Laboratory-Produced Black Carbon (Biochar)

Andrew R. Zimmerman · Environmental Science & Technology · 2010 · 1.1K citations

Agriculture, Environmental Sciences, Soil Sciences +17

Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity

Philippe Ungerer, Julien Collell, Marianna Yiannourakou · Energy & Fuels · 2014 · 620 citations

Natural Sciences, Chemistry, Physics +17

Carbon-13 solid-state NMR of Argonne-premium coals

Mark S. Solum, Ronald J. Pugmire, David M. Grant · Energy & Fuels · 1989 · 608 citations

Natural Sciences, Chemistry, Mining Engineering +5