Systematic exploration of the interactions between Fe-doped kaolinite and coal based on DFT calculations

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

Natural Sciences, Chemistry, Physics +17

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

Natural Sciences, Computer Science, Physics +11

Rietveld Refinement of the Kaolinite Structure at 1.5 K

D. L. Bish · Clays and Clay Minerals · 1993 · 563 citations

Natural Sciences, Materials Engineering, Materials Science +12

Forces Between Surfaces in Liquids

Jacob N. Israelachvili, Patricia McGuiggan · Science · 1988 · 455 citations

Natural Sciences, Materials Science, Physics +10