Structures of oxyfluoroaluminates in molten cryolite-alumina mixtures investigated by DFT-based calculations

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

Natural Sciences, Chemistry, Physics +17

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

Natural Sciences, Chemistry, Physics +17

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

Jan Andzelm, E. Wimmer · The Journal of Chemical Physics · 1992 · 966 citations

Natural Sciences, Chemistry, Physics +17

Structural entities in NaFAlF3 melts containing alumina

Å. Sterten · Electrochimica Acta · 1980 · 74 citations

Natural Sciences, Materials Engineering, Materials Science +12

Raman spectra of Al2O3 solutions in molten cryolite and other aluminum fluoride containing melts

B. Gilbert, G. Mamantov, G. M. Bègun · Inorganic and Nuclear Chemistry Letters · 1976 · 41 citations

Natural Sciences, Materials Engineering, Materials Science +11