[AR] Re: Nitrating C60
- From: Norman Yarvin <yarvin@xxxxxxxxxxxx>
- To: arocket@xxxxxxxxxxxxx
- Date: Thu, 5 Mar 2015 19:09:50 -0500
On Thu, Mar 05, 2015 at 03:04:49PM -0700, Bill Claybaugh wrote:
>Another HEDM....
>
>http://m.phys.org/_news344756717.html?google_editors_picks=true
Highly energetic dubious material?
(The article just describes computer simulations, not any actual
material being made; and simulating chemical reactions is very far
from being a solved problem. The basic difficulty is that when you
have N electrons, you have a 3N-dimensional Schroedinger equation to
solve. The high dimensionality kills any attempt at a direct
solution, pushing people into dubious approximations which make
computational fluid dynamics look like a paragon of accuracy.)
That said, C60 plus twelve nitro groups is probably easier to make
than octanitrocubane, which has a NO2 group for every carbon, not just
a fifth of them, plus has a highly stressed structure.
--
Norman Yarvin http://yarchive.net/blog
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