Concepedia

Experimental and theoretical modelling of kinetic and equilibrium Ba isotope fractionation during calcite and aragonite precipitation

Vasileios Mavromatis, Kirsten van Zuilen, Marc Blanchard, Mark van Zuilen, Martin Dietzel, Jacques Schott

Geochimica et Cosmochimica Acta · 2019 · 51 citations · 79 references

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Concepts

References

79

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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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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Adsorption of Gases in Multimolecular Layers

Stephen Brunauer, P. H. Emmett, Edward Teller · Journal of the American Chemical Society · 1938 · 27.6K citations

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The Activated Complex in Chemical Reactions

Henry Eyring · The Journal of Chemical Physics · 1935 · 5.7K citations

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