Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

This publication has 82 references indexed in Scilit:

• Why Clays Swell
  The Journal of Physical Chemistry B, 2002
• Molecular Dynamics Modeling of Chloride Binding to the Surfaces of Calcium Hydroxide, Hydrated Calcium Aluminate, and Calcium Silicate Phases
  Chemistry of Materials, 2002
• From molecules to solids with the DMol3 approach
  The Journal of Chemical Physics, 2000
• Predicting Guest Orientations in Layered Double Hydroxide Intercalates
  Chemistry of Materials, 1999
• Molecular Modeling of the Tributyl Phosphate Complex of Europium Nitrate in the Clay Hectorite
  The Journal of Physical Chemistry A, 1998
• Simulation of layered double hydroxide intercalates
  Advanced Materials, 1997
• The formation of ice between hydrotalcite particles measured by thermoporometry
  Clay Minerals, 1996
• Hydrogen thermal motion in calcium hydroxide: Ca(OH)₂
  Acta crystallographica Section B, Structural science, crystal engineering and materials, 1993
• A molecular dynamics simulation of a water model with intramolecular degrees of freedom
  Molecular Physics, 1987
• Neutron Diffraction Studies of α‐FeOOH
  Physica Status Solidi (b), 1968