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?
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? 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
Structure that breaks InChI - Chemistry Stack Exchange I propose you remove that bullet list of "shortcomings" from your question as it might mislead people What you are looking for is a structure that somehow "breaks" InChI, and you probably need to be even clearer, that "breaks" the software that generates the InChI string from the input format (MOLFILE?) || So the domain of answers should be MOLFILEs which pose a particular challenge to the
Iodine solution concentration - Chemistry Stack Exchange Iodine has relatively poor solubility in water, but dissolves much more readily in an aqueous solution containing iodide ions because tri-iodide ions are formed So the KI just facilitates dissolution of the iodine in the solution
Ionisation vs Dissociation - Chemistry Stack Exchange This is a statement given in my book: A strong electrolyte is completely ionised at all dilutions but not completely dissociated But the book also uses the terms quot;Ionisation quot; and quot;