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Journal of Chemical Physics

Volumn 114, Issue 13, 2001, Pages 5472-5481

Calculation of heat capacities and entropies of metal halides with quantum chemical methods

(3) Jug, Karl a Janetzko, Florian a Köster, Andreas M a

a LEIBNIZ UNIVERSITY HANNOVER (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CALCULATIONS; CHLORINE COMPOUNDS; ELECTRONIC DENSITY OF STATES; ENTROPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; STATISTICAL MECHANICS; THERMAL EFFECTS; TRANSITION METALS;

DENSITY FUNCTIONAL CALCULATIONS; ELECTRONIC EXCITED STATES; METAL HALIDES; QUANTUM CHEMICAL METHODS; VIBRATIONAL ANHARMONICITIES; VIBRATIONAL FREQUENCIES;

SPECIFIC HEAT OF SOLIDS;

EID: 0035310266 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1351879 Document Type: Article

Times cited : (10)

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