Concepedia

Nucleation of soot: Molecular dynamics simulations of pyrene dimerization

Charles A. Schuetz, Michael Frenklach

Proceedings of the Combustion Institute · 2002 · 222 citations · 34 references

DOI

Concepts

References

34

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +4

Optimization of parameters for semiempirical methods II. Applications

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 3.7K citations

, , +9

Reaction mechanism of soot formation in flames

Michael Frenklach · Physical Chemistry Chemical Physics · 2002 · 1.5K citations

, , +17

Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons

Jörg Appel, H. Bockhorn, Michael Frenklach · Combustion and Flame · 2000 · 1.3K citations

, , +17