Molecular dynamics simulation of aluminum inhibited leaching during ion-adsorbed type rare earth ore leaching process

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

Natural Sciences, Physics, Fluid Dynamics +7

Molecular Controls on Kaolinite Surface Charge

Patrick V. Brady, Randall T. Cygan, Kathryn L. Nagy · Journal of Colloid and Interface Science · 1996 · 326 citations

Natural Sciences, Materials Engineering, Materials Science +14

Molecular models and simulations of layered materials

Randall T. Cygan, Jeffery A. Greathouse, Hendrik Heinz et al. · Journal of Materials Chemistry · 2009 · 277 citations

Natural Sciences, Chemistry, Materials Science +17

Surface complex structures modelled with quantum chemical calculations: carbonate, phosphate, sulphate, arsenate and arsenite

James D. Kubicki, Kideok D. Kwon, Kristian W. Paul et al. · European Journal of Soil Science · 2007 · 127 citations

Natural Sciences, Chemistry, Physics +17

DFT simulation of the adsorption of sodium silicate species on kaolinite surfaces

Yonghua Han, Wenli Liu, Jianhua Chen · Applied Surface Science · 2016 · 117 citations

Natural Sciences, Chemistry, Materials Science +16