Enthalpy-entropy interplay for C36 cages: B3LYP/6-31G calculations

Journal of Chemical Physics

Volumn 113, Issue 12, 2000, Pages 4933-4937

  Slanina, Zdeněk ^a   Uhlík, Filip ^b   Zhao, Xiang ^a   Osawa, Eiji ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; COMPOSITION; COMPUTATIONAL METHODS; ENTHALPY; ENTROPY; GIBBS FREE ENERGY; HIGH TEMPERATURE PROPERTIES; NANOTUBES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CARBON NANOTUBES; EQUILIBRIUM ISOMERIC COMPOSITION; ISOLATED PENTAGON RULE STRUCTURES; JAHN-TELLER DISTORTION;

FULLERENES;

EID: 0034272407     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288368     Document Type: Article

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