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Author Topic: passivation  (Read 3035 times)

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Offline Maneesh

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passivation
« on: June 21, 2013, 13:00 »
Dear Sir,

How to passivate the free ends of carbon nanotube with hydrogen atom. If i passivate it by the icon given  it attach two hydrogen atoms instead of one to the carbon atom.
regards

maneesh
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Offline zh

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Re: passivation
« Reply #1 on: June 22, 2013, 14:22 »
Once two hydrogen atoms are attached to a carbon atom, you can choose  one of  hydrogen atoms and delete it by yourself .
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Offline Nordland

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Re: passivation
« Reply #2 on: June 23, 2013, 08:49 »
Then you should properly do a quick optimization.
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