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Hyperchem 8.0

  1. Oct 13, 2008 #1
    1. Is it possible to run an ab initio calculation on molecules with lone pair?
    I keep getting "basis file does not contain any definitons for element with atomic number 0"

    2. Is there a way to show coordination bonding in hyperchem?

    Thanks.
     
  2. jcsd
  3. Oct 14, 2008 #2

    GCT

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    Never heard of this software , is it similar to SPARC?
     
  4. Oct 15, 2008 #3
    I don't know. I have never used SPARC before.

    Hyperchem's a modeling software, with official website here: http://www.hyper.com/

    Any gurus around? :(
     
  5. Oct 15, 2008 #4

    GCT

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    Gokul is on the inorganic side , he may know of this software , we have physical chemists here however it seems that they haven't been around ; also check out the CHEM E forums or one of the advanced physics forums.
     
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