Hydrides


  1. Hydrides by L.M.Kleiss,1952
  2. Data for Simple Hydrides: LiH to HF
  3. LiH ... CH4 non-overlapped/overlapped
  4. Si2H6
  5. GeH4
  6. SnH4
  7. TiH4
  8. ZrH4
  9. Si(CH3)4 TMS
  10. Your turn for NH3 ... HF
  11. The Case of Ethene
2) The simple hydrides show, again, the parametrization with first principles QC methods. As explained earlier the parameters are transferable to the classes of compounds whose first members they are.
3) is a more extensive comparison between non overlapped Kimball models which approximate common bond constructions, usually "sp", "sp2", "sp3" hybrids or comparable LCAO-MO schemes with overlapped models. We explain why the Kimball representations are better.
4) can be viewed, 5) to 8) are Mathematica notebooks demonstrating how the extension of 		Kimballs model to atomic numbers higher than K can plausibly be applied.
9) shows the famous TMS NMR reference molecule, a complex hydride with two "heavy" atoms, viewable.
10) Here is a template, sketching NH3, for continuing 3) and treating NH3 to HF with the same comparison between a Kimball and an overlapped (Kimball-) Model. Do it, yes you can! (and don't peek into some of the solutions given at the end of 10) before you seriously have tried).
11) Ethene, B2H6 and Hydrocarbons