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
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
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?
Is there a way to export detailed data about atom connectivity . . . 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 Just to extend on that a bit, Gaussview can export to and and , all of which store connection data
Trimethoprim solubility - Chemistry Stack Exchange I’m working on preparing a stock solution of Trimethoprim (TMP) for a downstream biological assay and encountering solubility issues I’d appreciate any guidance from folks who’ve done this before
Why does nitrogen have a maximum covalency of 4? Recall that covalency is the number of shared electron pairs formed by an atom of that element Nitrogen's maximum covalency is indeed $4$ And no, it does not break up its lone pair I'll give you a simple example Have a look at the Lewis structure of the ammonium ion: (source) Notice that nitrogen's octet is complete as soon it bonds with three $\ce {H}$ atoms (aka forms ammonia) The
Precautions and tips for Qualitative Inorganic Analysis of Coins I know this does not answer what you specifically asked for, but it may be a good way to get quick analyses of coins Try to get a quick scan with an X-Ray Fluorescence gun (XRF gun), if you want to use a modern, non-destructive analytical technique It is common for firms and certain types of stores to have one such gun, for example jeweller stores keep such guns to check the gold or silver