Concepedia

Car–Parrinello molecular dynamics simulation of the calcium ion in liquid water

Mor M. Naor, Keith Van Nostrand, Christoph Dellago

Chemical Physics Letters · 2003 · 88 citations · 26 references

DOI

Concepts

References

26

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15

Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C

S. Koneshan, Jayendran C. Rasaiah, R. M. Lynden‐Bell et al. · The Journal of Physical Chemistry B · 1998 · 952 citations

, , +16

Calcium Ion Coordination:  A Comparison with That of Beryllium, Magnesium, and Zinc

Amy K. Katz, Jenny P. Glusker, Scott A. Beebe et al. · Journal of the American Chemical Society · 1996 · 544 citations

, , +17