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
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
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
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?
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