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- databases - How can I get xyz coordinates of atoms of a unit cell . . .
Save the data as XYZ by clicking File → Save As… → Save as type: XMol files (* xyz) This produces a file with the coordinates of all atoms of the unit cell This produces a file with the coordinates of all atoms of the unit cell
- Which biphenyl is optically active? - Chemistry Stack Exchange
Biphenyl 2 is the only optically active compound here These stereoisomers are due to the hindered rotation about the 1,1'-single bond of the compound (Ref 1)
- Is there a way to export detailed data about atom connectivity . . .
$\begingroup$ The Xmol format cannot store connectivity information at all (at least in its initial definition) It's funny that the simplest, an probably most recognised format in computational chemistry, cannot be exported by Gaussian anyway $\endgroup$
- inorganic chemistry - Why does this acid-base reaction occur . . .
$\begingroup$ I don't think I understand Basically, my problem is: if the forward reaction occurs to near completion, the acid on the product side should be weaker than the acid at the reactant side, and the base at the product side should be weaker than the base at the reactant side (i e , it should dissociate less)
- ICE table with changing volume without Kc [closed]
Just having trouble understanding how to approach an ICE table question with no Kc and a volume change Given If you had 4 4 mol of a solid, A, placed in a 1L container which decomposed in to B and C (gas), B would slowly increase until 1 20M
- Ice Crystal Matrix measurements of H2O molecules?
6 1 Alternatively, you can save the structure as XYZ (Ctrl+S, choose Xmol files) and do some post-processing work in Blender if needed Reference International Tables for Crystallography: Space-group symmetry, 1st ed ; Hahn, T , Ed ;
- How to convert an XYZ file to Z-matrix? - Chemistry Stack Exchange
The format you have posted is actually (simple) xmol This means the first line denotes the number of atoms, the second line denotes a comment, and both need to be skipped This means the first line denotes the number of atoms, the second line denotes a comment, and both need to be skipped
- Pressure and LeChateliers Principle - Chemistry Stack Exchange
Ok, but when we add inert gas, what happens: $$\rm 2A+3B+inert\,gas \longleftrightarrow C+D+inert\,gas $$ It does not do anything because even though the pressure increased, the probabilty for 2 atoms $\rm A$ to hit 3 atoms $\rm B$ does not change
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