Structural Models of Fluorine-Graphite Intercalation Compounds from Density Functional Theory

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3016-3018

  Bettinger, Holger F ^a   Kudin, Konstantin N ^b   Scuseria, Gustave E ^b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COVALENT GRAPHITE FLUORIDES (CF); FLUORINATION; HARMONIC VIBRATIONAL FREQUENCIES; INFRARED ABSORPTION;

BOUNDARY CONDITIONS; CHEMICAL BONDS; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; FINITE DIFFERENCE METHOD; FLUORINE; GRAPHITE; LOW TEMPERATURE EFFECTS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; X RAY POWDER DIFFRACTION;

INTERCALATION COMPOUNDS;

EID: 2342486160     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0310854     Document Type: Article

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