Concepedia

On the unusual stability of Maya blue paint: molecular dynamics simulations

Ettore Fois, Aldo Gamba, Antonio Tilocca

Microporous and Mesoporous Materials · 2003 · 119 citations · 23 references

DOI

Concepts

References

23

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.7K citations

, , +11

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Understanding Molecular Simulation

Daan Frenkel, Berend Smit, Jan Tobochnik et al. · Computers in Physics · 1997 · 5.5K citations

, , +1

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

, , +17