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- databases - How can I get xyz coordinates of atoms of a unit cell . . .
Go to Calculate → Packing Slicing… and under Packing area tick Pack option, and under Include Atoms area select … that Fit Now you have the content of the entire 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
- 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) Biphenyl 3 is not optically active, because partially allowed rotation about the 1,1'-single bond of the compound (rotation is only partially restricted) To illustrate this phenomenon, I depicted the following diagram: Note that
- pH notation in text - Chemistry Stack Exchange
When referring to units of pH in continuous text (i e not in a table), which is the recommended usage? pH 7 to pH 8 pH 7 to 8 What about when the term "pH" has already been mentioned in the text?
- organic chemistry - What is the correct lewis structure of SCH . . .
If you would like to visualise the ion, e g with Avogadro, below is a simple Xmol file, including the absolute energy on the given level of theory, and a rendered image
- theoretical chemistry - What are observationally stable elements . . .
Theoretical calculations predicts some stable isotopes like calcium-40 to be radioactive But nobody has ever measured that this isotope emits a radiation It may be assumed that the half-life of this isotope is so large that not even one Ca-40 atom is destroyed in any sample of this element during one life (~100 y) So the Ca-40 isotope is considered as "observationally stable" Another
- Why do they use graphite electrodes in the Hall–Héroult process?
The basic reason for using graphite as an anode is in Hall–Héroult process in the electrolytic reduction of alumina to aluminum metal is because graphite being an allotrope of carbon and an inert electrode reacts with oxygen to give out carbon dioxide which thus prevents the liberation of oxygen as a final product at the anode Had there been any other metal oxygen would have been liberated
- 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 Therefore your file should look like this: In Gaussian terms, a block of cartesian coordinates is also a z-matrix
- Ice Crystal Matrix measurements of H2O molecules?
I want a mathematically generated 3D STL copy of this image, however it's represent algorithmically If I do all the H2O's as individual pieces with female connections prepared for chopped bike sp
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