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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
  • 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
  • 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?
  • 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
  • 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
  • Shouldnt the pH at the equivalence point always be 7?
    I learned in class that the equivalence point in an acid-base titration is reached when the solution contains an equal amount of substance of $\\ce{OH-}$ and $\\ce{H+}$ ions However, in a weak acid
  • 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
  • Joules to kJ mol conversion - Chemistry Stack Exchange
    In my AP Chem class we are working on testing Hess's Law and conducted three reactions Then enthalpy changes of the 1) $\\ce{NaOH + HCl}$ and 2) $\\ce{NaOH + NH4Cl}$ to predict the enthalpy change o
  • kinetics - Why are rates of reaction faster for ionic compounds than . . .
    Why is it that ionic reactions (i e , reactions involving ionic compounds) are faster than covalent reactions (reactions involving covalent compounds), even though the ionic bond is stronger than the





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