Concepedia

Computational Materials Chemistry at the Nanoscale

Tahir Çağın, Jianwei Che, Yue Qi, Yanhua Zhou, Ersan Demiralp, Guang‐hua Gao, William A. Goddard

Journal of Nanoparticle Research · 1999 · 28 citations · 99 references

DOI

Concepts

References

99

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

, , +15

Single-shell carbon nanotubes of 1-nm diameter

Sumio Iijima, Toshinari Ichihashi · Nature · 1993 · 8.9K citations

, , +9

Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

Murray S. Daw, M. I. Baskes · Physical review. B, Condensed matter · 1984 · 7.2K citations

, , +17