Ab initio prediction of equilibrium boron isotope fractionation between minerals and aqueous fluids at high P and T

@article{Kowalski2012AbIP,
  title={Ab initio prediction of equilibrium boron isotope fractionation between minerals and aqueous fluids at high P and T},
  author={Piotr M. Kowalski and Bernd Wunder and Sandro Jahn Gfz German Research Centre for Geosciences and Telegrafenberg and Potsdam and H Germany and Forschungszentrum Juelich and Institute of Applied Energy and Climate Research and Wilhelm-Johnen-Strasse and Juelich},
  journal={Geochimica et Cosmochimica Acta},
  year={2012},
  volume={101},
  pages={285-301}
}

Boron Incorporation in Silicate Melt: Pressure-induced Coordination Changes and Implications for B Isotope Fractionation

Ab initio molecular dynamics simulations have been employed to investigate the nature of boron incorporation in a haplobasalt melt at pressures up to 8 GPa. At ambient pressure, boron is
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