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Inside Cover, Volume 34, Issue 26
Publication year - 2013
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23432
Subject(s) - cover (algebra) , dipole , reactivity (psychology) , volume (thermodynamics) , citation , nanotechnology , materials science , combinatorics , chemistry , physics , computer science , mathematics , library science , organic chemistry , mechanical engineering , quantum mechanics , engineering , medicine , alternative medicine , pathology
The cover depicts a Stone–Wales (SW) defective single‐walled carbon nanotube (SWNT) surrounded with several 1,3‐ dipoles such as azomethine ylide and nitrone. Using a two‐layered ONIOM method by Tao Yang, Xiang Zhao, and Shigeru Nagase on page 2223 , 1,3–dipolar cycloadditions of several 1,3‐dipoles upon SW defective and defect‐free SWNTs are systematically studied. Compared with defect‐free SWNTs, the SW defective SWNTs exhibit the higher chemical reactivity. The larger the diameter of the SWNT, the lower chemical reactivity the SW defective SWNT shows.