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Gaussian 09 weird errors
attempting to increase %mem for B3LYP 6-31g(d), generated this error,
Inverted reduced A of dime ... |
18-8-2018 at 00:09
by: DubaiAmateurRocketry |
Gaussian 09 weird errors
There has been 2 errors ive been running into, on 2 methods.
one of them is CBS-4M, the other one ... |
17-8-2018 at 23:53
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
I am running into little troubles while using CBS-4M and B3LYP based HOF calculations, occasionally, ... |
15-8-2018 at 21:14
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
[rquote=528815&tid=85211&author=simply RED]All methods discussed so far deal with geometry o ... |
12-8-2018 at 11:07
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
[rquote=528577&tid=85211&author=nitro-genes]Another thing I was wondering (excuse the spoonf ... |
10-8-2018 at 17:31
by: DubaiAmateurRocketry |
Doable synthesis of F2 in amateur setting?
and if we do obtain XeF2, we can obtain the F2 gas relatively easily, right? |
6-8-2018 at 23:02
by: DubaiAmateurRocketry |
I found an OXONE product claiming 100%
re: I tested one oxidation with Na2S2O8 and adding a tiny bit of AgNO3 greatly improved the oxidatio ... |
6-8-2018 at 13:08
by: DubaiAmateurRocketry |
I found an OXONE product claiming 100%
Highly interested.
also the product says 4.7% active oxygen, does that mean its actually the trip ... |
6-8-2018 at 11:38
by: DubaiAmateurRocketry |
Computational and Theoretical Study of the High Density Energetic Compound HHTDN
Updated calculation on the condensed heat of formation from the heat of formation sublimation adopte ... |
5-8-2018 at 16:34
by: DubaiAmateurRocketry |
Doable synthesis of F2 in amateur setting?
Any updates on this?
I am interested in synthesizing the HOF-CH3CN complex by passing F2 into a C ... |
4-8-2018 at 18:35
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
see U2U |
31-7-2018 at 22:15
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
Nitro genes,
your calculations have started, expect at least 12 hours  |
31-7-2018 at 00:36
by: DubaiAmateurRocketry |
Super explosives based on high nitrogen content salts
This compound's data is probably false or faked, and its heat of formation is extremely high for a s ... |
30-7-2018 at 18:39
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
nitrogenes:
So far, for heat of formation.
PM6 gave a 195 kJ/mol.
PM3 gave a 361 kJ/mol.
t ... |
30-7-2018 at 17:14
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
Red "why calculate the heat of formation with PM3? Just do all calculations with one method and one ... |
30-7-2018 at 10:40
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
[rquote=526346&tid=85211&author=Rocinante]Could you investigate HMTD? There are conflicting ... |
29-7-2018 at 18:31
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
Simply red,
There is a popular equation to product density which only require 2 numbers, the mass ... |
28-7-2018 at 09:29
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
http://www.sciencemadness.org/talk/viewthread.php?tid=85962
Here I uploaded the calculated result ... |
26-7-2018 at 22:36
by: DubaiAmateurRocketry |
Computational and Theoretical Study of the High Density Energetic Compound HHTDN
[size=12]Computational and Theoretical Study of the High-Density Energetic Compound HHTDN
(hexanit ... |
26-7-2018 at 22:05
by: DubaiAmateurRocketry |
Tinnitus treatment via 3,4-methylenedioxy-phenethylamine?
Tinnitus has no defined treatment so far, and the disease is curently associated with several stemmi ... |
22-7-2018 at 18:51
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
So the first result turned in.
The claimed compound in DOI: 10.1002/slct.201703067, states that c ... |
20-7-2018 at 23:25
by: DubaiAmateurRocketry |
Gumtree Glassware - Australian Finds
Looks like your first step to pentazoles  |
20-7-2018 at 15:44
by: DubaiAmateurRocketry |
Computational methods / calculations in Energetic materials
I recently figured out how to calculate properties of energetic materials based on several computati ... |
20-7-2018 at 15:26
by: DubaiAmateurRocketry |
What's the easiest way to turn benzene into non-toxic fuel?
See figure 1
https://en.wikipedia.org/wiki/Cyclohexane#Production |
19-7-2018 at 19:20
by: DubaiAmateurRocketry |
Running intensive computational softwares on laptops
I know, bad idea, I have a high end 2015 Xeon processor, and it works, kind of. Running an optimizat ... |
10-7-2018 at 13:23
by: DubaiAmateurRocketry |
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