Concepedia

Electric field effects on the reactivity of heme model systems

Pablo M. De Biase, Fabio Doctorovich, Daniel H. Murgida, Darío A. Estrı́n

Chemical Physics Letters · 2006 · 44 citations · 24 references

DOI

Concepts

References

24

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +17

Nonlinear ionic pseudopotentials in spin-density-functional calculations

Steven G. Louie, Sverre Froyen, Marvin L. Cohen · Physical review. B, Condensed matter · 1982 · 2.3K citations

, , +12

High-resolution three-dimensional structure of horse heart cytochrome c

Gordon W. Bushnell, Gordon V. Louie, Gary D. Brayer · Journal of Molecular Biology · 1990 · 1.1K citations

, , +9