From NWChem
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Just Got Here
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| 5:30:11 AM PST - Wed, Dec 24th 2014 |
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Dear Members,
This is my first email. Sorry for posting theoretical question but I am really stuck at this point.
We are studying GraphAne. I need to know a functional group on graphEne which on breaking from "C attaches with "H" of environmental hydrogen and the other "H" attaches with the "C" i.e; Hydoregenation of graphane. The new product must be higher in energy (unstable product). I know many examples but the end product is always stable in w.r.t Reactants.
Expecting a warm response.
Best Regards
Naseem Hassan
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