Concepedia

Ab initio crystal structure of nickel(II) hydroxy-terephthalate by synchrotron powder diffraction and magnetic study

Anne Carton, Adel Mesbah, Thomas Mazet, Florence Porcher, Michel François

Solid State Sciences · 2007 · 131 citations · 46 references

DOI

Concepts

References

46

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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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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Metal–organic frameworks: a new class of porous materials

Jesse L. C. Rowsell, Omar M. Yaghi · Microporous and Mesoporous Materials · 2004 · 2.9K citations

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Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids: MIL-53 or Cr<sup>III</sup>(OH)·{O<sub>2</sub>C−C<sub>6</sub>H<sub>4</sub>−CO<sub>2</sub>}·{HO<sub>2</sub>C−C<sub>6</sub>H<sub>4</sub>−CO<sub>2</sub>H}<i><sub>x</sub></i>·H<sub>2</sub>O<i><sub>y</sub></i>

Christian Serre, Franck Millange, C. Thouvenot et al. · Journal of the American Chemical Society · 2002 · 1.9K citations

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