Hydrogen atom mediated stone-wales rearrangement of pyracyclene: A model for annealing in fullerene formation

Journal of Physical Chemistry A

Volumn 109, Issue 43, 2005, Pages 9896-9903

  Nimlos, Mark R ^a   Filley, Jonathan ^b   McKinnon, J Thomas ^b  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

^b Department of Geology and Geological Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; PYRACYCLENE; QUANTUM MECHANICAL MOLECULAR MODELING; STONE-WALES (SW) REARRANGEMENT;

ANNEALING; COMBUSTION; FULLERENES; HYDROGEN; ISOMERS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SYNTHESIS (CHEMICAL);

NITROGEN COMPOUNDS;

EID: 27744555236     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053441j     Document Type: Article

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