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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?
  • 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
  • What determines polarizability of an element?
    The polarisability is a measure of how an atom's electrons can be displaced from equilibrium by a nearby electric field The polarisability is approximately inversely proportional to the ionisation energy (taken across periods in the periodic table); the easier it is to ionise the easier it is to alter the average electron's positions because they are less energetically bound to the nucleus
  • 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
  • Best oxidizing and reducing agents: Na, Zn^2+, Ba, Ba^2+, and Ag?
    You have determined the correct oxidizing agent It does however appear that you have determined the wrong reducing agent (if it is not a typo) $\ce {Ba^2+}$ is a poor reducing agent because it requires a lot of energy to remove a third electron from Barium (as it breaks the noble gas electron structure of $\ce {Ba^2+}$) The correct answer for reducing agent is barium (Ba), as can be read
  • Pressure and LeChateliers Principle - Chemistry Stack Exchange
    We know that if a system's equilibrium is exposed to a stress, the system shifts to relieve that stress According to my teacher, certain kinds of pressures are stresses and others are not Normal
  • 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





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