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Journal of Chemical Physics

Volumn 116, Issue 16, 2002, Pages 7127-7137

Ab initio chemical potentials of solid and liquids solutions and the chemistry of the Earth's core

(3) Alfe D a Gillan, M J a Price, G D a

a UNIVERSITY COLLEGE LONDON (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; EARTH SCIENCES; FREE ENERGY; MIXTURES; MOLECULAR DYNAMICS; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION; SOLID SOLUTIONS; STATISTICAL MECHANICS; THERMODYNAMICS;

AB INITIO CHEMICAL POTENTIAL; CHEMICAL EQUILIBRIUM; DENSITY FUNCTIONAL THEORY; EARTH CORE;

COMPOSITION;

EID: 0037156116 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1464121 Document Type: Article

Times cited : (114)

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