Concepedia

Migration mechanism of aromatic-edge growth

Michael Frenklach, Charles A. Schuetz, Jonathan Ping

Proceedings of the Combustion Institute · 2005 · 64 citations · 31 references

DOI

Concepts

References

31

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

, , +11

Exact stochastic simulation of coupled chemical reactions

Daniel T. Gillespie · The Journal of Physical Chemistry · 1977 · 10.6K citations

, , +8

Optimization of parameters for semiempirical methods I. Method

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

, , +4