Concepedia
Carbon · 2009 · 107 citations · 46 references
Chemical EngineeringMolecular DynamicsEngineeringCarbonizationActivated CarbonMolecular SimulationComputational ChemistryChemistryDetailed Structural ModelsMolecular ModelingChemical Kinetics
46
Computer Simulation of Liquids
S. P, K. J · Journal of Molecular Liquids · 1988 · 15.8K citations
Engineering, Simple Liquid, Liquid-liquid Flow +7
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 · 6.1K citations
Bond Dissociation, Chemical Kinetics, Chemical Thermodynamics +15
<i>Understanding Molecular Simulation: From Algorithms to Applications</i>
Daan Frenkel, Berend Smit, Mark A. Ratner · Physics Today · 1997 · 5.1K citations
Computer Simulators, Engineering, Physics +11
A reactive potential for hydrocarbons with intermolecular interactions
Steven J. Stuart, Alan B. Tutein, Judith A. Harrison · The Journal of Chemical Physics · 2000 · 4.3K citations
Materials Science, Molecular Solid, Torsional Potentials +14
The Lennard-Jones equation of state revisited
J. Karl Johnson, John A. Zollweg, Keith E. Gubbins · Molecular Physics · 1993 · 1.4K citations
Engineering, Fluid Mechanics, Experimental Thermodynamics +20