theoretical study of addition reaction of carbene and zigzag single-walled carbon nanotube

نویسندگان

saeid abedini khoramie

shahram moradi

somayeh miryousefi

samira eftekharjoo

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

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منابع مشابه

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

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

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عنوان ژورنال:
journal of physical & theoretical chemistry

ISSN

دوره 5

شماره 3 2008

کلمات کلیدی

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