Computing enthalpy-entropy interplay for isomeric fullerenes

International Journal of Quantum Chemistry

Volumn 99, Issue 5 SPEC. ISS., 2004, Pages 640-653

  Slanina, Z ^a,b   Zhao, X ^c   Uhlik F ^d   Lee, S L ^e   Adamowicz, L ^f  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b INSTITUTE OF CHEMISTRY   (Taiwan)

^c TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^d CHARLES UNIVERSITY   (Czech Republic)

^e NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

^f University of Arizona   (United States)

Author keywords

C 96 cages; Evaluation of cluster stabilities; Fullerenes; IPR isomers; Jahn Teller distortions

Indexed keywords

C96 CAGES; EVALUATION OF CLUSTER STABILITIES; IPR ISOMERS; JAHN-TELLER DISTORTIONS;

COMPLEXATION; ENTHALPY; ENTROPY; GIBBS FREE ENERGY; GROUND STATE; HARMONIC ANALYSIS; ISOMERS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; POTENTIAL ENERGY; QUANTUM THEORY; SENSITIVITY ANALYSIS; THERMODYNAMICS;

FULLERENES;

EID: 4544367168     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20054     Document Type: Conference Paper

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