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V. Luaña

GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
Hirshfeld surfaces as approximations to interatomic surfaces
Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halides
Strategies for determining and using ab initio interionic potentials
Universal-binding-energy relations across the rock-salt–cesium chloride phase transition in alkali halides
Energetics of the RbF+CaF2->RbCaF3 solid state reaction: A first-principles study
Static simulations of Cu + centers in alkali halides
Theoretical study of the coordination of the Cr3+ ion in alpha-Al2O3
Pressure-induced B1-B2 phase transition in alkali halides: General aspects from first-principles calculations.
LOCAL WAVE-FUNCTIONS FOR MULTINEGATIVE IONS IN SOLIDS
THEORETICAL D-D SPECTRUM OF CR3+MGO
CORE PROJECTION EFFECTS IN NEAR-ABINITIO VALENCE CALCULATIONS .2. GROUND-STATE GEOMETRY OF OCTAHEDRAL CHROMIUM (CHROMIUM-I, CHROMIUM-II, CHROMIUM-III, AND CHROMIUM-IV) HEXAFLUORIDES

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