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Computing energetic properties and crystal density of energetic materials
Thank you!
I will try.
The input coordinates of your example is the coordinates given of MM2 opt ...
20-12-2009 at 08:50
by: stid
Computing energetic properties and crystal density of energetic materials
[rquote=164302&tid=11195&author=simply RED]
It should be calculated at least with B3LYP or ...
20-12-2009 at 02:15
by: stid
Computing energetic properties and crystal density of energetic materials
Thanks for your answer!
14-10-2009 at 02:11
by: stid
Computing energetic properties and crystal density of energetic materials
Hi,
I have calculated the density of HMX using the correction coefficient 0,955. The obtained densi ...
12-10-2009 at 00:29
by: stid
Computing energetic properties and crystal density of energetic materials
Thank you for the answer! And one question again: does some strict relation exist between the symmet ...
3-9-2009 at 10:13
by: stid
Computing energetic properties and crystal density of energetic materials
Sorry to pose my question so late.
So it is: is this possible to predict the chemical stability via ...
3-9-2009 at 05:32
by: stid
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