Concepedia

Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics

Xiaolong Liu, Xiaoxia Li, Jian Liu, Ze Wang, Bin Kong, Xiaomin Gong, Xiaozhen Yang, Weigang Lin, Li Guo

Polymer Degradation and Stability · 2014 · 190 citations · 30 references

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Concepts

References

30

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

, , +17

Nist chemistry webbook, nist standard reference database number 69

P. Linstorm · Medical Entomology and Zoology · 1998 · 4.6K citations

, , +11

The Nose–Hoover thermostat

D.J. Evans, Brad Lee Holian · The Journal of Chemical Physics · 1985 · 3.5K citations

, , +12

Structure and energetics of ligand binding to proteins: <i>Escherichia coli</i> dihydrofolate reductase‐trimethoprim, a drug‐receptor system

Pnina Dauber‐Osguthorpe, Victoria A. Roberts, David J. Osguthorpe et al. · Proteins Structure Function and Bioinformatics · 1988 · 2.1K citations

, , +16

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

Fidel Castro-Marcano, Amar M. Kamat, Michael F Russo et al. · Combustion and Flame · 2011 · 428 citations

, , +14