Concepedia

Studying lowest energy structures of carbon clusters by bond-order empirical potentials

S. K. Lai, icuk setiyawati, T. W. Yen, Yu-Hui Tang

Theoretical Chemistry Accounts · 2016 · 17 citations · 58 references

DOI

Concepts

References

58

C60: Buckminsterfullerene

Harold W. Kroto, J. R. Heath, Sean C. O’Brien et al. · Nature · 1985 · 15.9K citations

On the limited memory BFGS method for large scale optimization

Jorge Nocedal · Mathematical Programming · 1989 · 8.5K citations

, , +12

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

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

A reactive potential for hydrocarbons with intermolecular interactions

Steven J. Stuart, Alan B. Tutein, Judith A. Harrison · The Journal of Chemical Physics · 2000 · 4.4K citations

, , +17