Concepedia

First-principles molecular dynamics simulation of water dissociation on TiO2 (110)

Philip J. D. Lindan, N. M. Harrison, J. M. Holender, M. J. Gillan

Chemical Physics Letters · 1996 · 171 citations · 25 references

DOI

Concepts

References

25

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

Electrochemical Photolysis of Water at a Semiconductor Electrode

Akira Fujishima, Kenichi Honda · Nature · 1972 · 33.7K citations

, , +14

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.2K citations

, , +16