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Abedini Khoramie, Saeid, Moradi, Shahram, Miryousefi, Somayeh, Eftekharjoo, Samira. (1387). Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube. , 5(3), 9-16.
Saeid Abedini Khoramie; Shahram Moradi; Somayeh Miryousefi; Samira Eftekharjoo. "Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube". , 5, 3, 1387, 9-16.
Abedini Khoramie, Saeid, Moradi, Shahram, Miryousefi, Somayeh, Eftekharjoo, Samira. (1387). 'Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube', , 5(3), pp. 9-16.
Abedini Khoramie, Saeid, Moradi, Shahram, Miryousefi, Somayeh, Eftekharjoo, Samira. Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube. , 1387; 5(3): 9-16.

Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube

Journal of Physical & Theoretical Chemistry
مقاله 2، دوره 5، شماره 3، بهمن 2008، صفحه 9-16  XML اصل مقاله (177.96 K)
نوع مقاله: Research Paper
نویسندگان
Saeid Abedini Khoramie* ؛ Shahram Moradi* ؛ Somayeh Miryousefi* ؛ Samira Eftekharjoo*
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چکیده
The reaction mechanism between (H2C) and (7, 0), zigzag single-walled carbon nanotubes
(ZSWCNTs) on two different orientation of C-C have been studied by semi empirical AM!
method. The activation barriers of (H2C) adding to (7, 0) ZSWCNT are computed and compared.
The effects of diameters of zigzag SWCNT on their binding energies were studied
کلیدواژه‌ها
CNT؛ Transition state؛ Carbene reaction
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