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On 9/05/2011 5:23 PM, toby10222224 wrote:
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<div><font face="Verdana" size="2">Hi:</font></div>
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<div>I have a carbon nanotube (CNT) and several carbonly groups
(C=O). Meanwhile the carbonly carbon atoms are part of the CNT.
That is to say an oxygen atom is attached to one carbon atom of
the CNT to form a carbonyl group. All the carbon atoms are
supposed to be fixed, while carbonyl carbon and oxygen atoms are
supposed to have bond interactions. I can freeze the rest carbon
atoms of the CNT, but how to deal with the carbonly atoms?</div>
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<br>
Well if you're prepared to model the CNT frozen, why not freeze the
oxygen bound to it? Anything else sounds like a recipe for more
trouble.<br>
<br>
Mark<br>
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