Scratching the surface of buckminsterfullerene: The barriers for Stone-Wales transformation through symmetric and asymmetric transition states

Journal of the American Chemical Society

Volumn 125, Issue 18, 2003, Pages 5572-5580

  Bettinger, Holger F ^a   Yakobson, Boris I ^b,c   Scuseria, Gustavo E ^b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b RICE UNIVERSITY   (United States)

^c Rice University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

TRANSITION STATES;

FULLERENES;

CARBENE; CARBON; FULLERENE DERIVATIVE;

ARTICLE; CHEMICAL MODIFICATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; ISOMER; MOLECULAR DYNAMICS; PHASE TRANSITION; SURFACE PROPERTY;

EID: 0038413961     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0288744     Document Type: Article

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