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sloshy
sloshy
2:09 AM
!freeze
 
 
12 hours later…
Feeds
Feeds
2:21 PM
0
Q: What determines the symmetry of a molecule?

Matt N.Background information: I have no chemistry knowledge and I am taking a course on combinatorics and one of the examples is about the symmetries of molecules. Specifically, if I have a carbon atom and 4 hydrogen atoms, apparently, the resulting molecule can be a tetrahedron or a planar square. My ...

symmetry
 
 
5 hours later…
r/comp_chem
r/comp_chem
7:00 PM
Computational Chemistry: Discover code in Materials Studio
posted on July 15, 2021 by /u/Temporary_Scar8023

I came across a research paper where the authors have used discover code in materials studio to simulate a surface followed by energy minimization with compass forcefield. I am trying to replicate the results. Can anyone tell me how to use discover code in materials studio? submitted by /u/Temporary_Scar8023 [link] [comments]

 
 
4 hours later…
Feeds
Feeds
10:36 PM
0
Q: Is the lone electron pair of amide nitrogen part of the pi system when building a Hueckel matrix?

Charles Taylor Is the lone electron pair of the nitrogen atom part of the pi system in the attached alpha-beta unsaturated amide? Is there a general rule for choosing when to include a nitrogen atom in a Hueckel matrix?

quantum-chemistry resonance aromaticity
 

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