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Atomic Books on Molecular Orbital Theory

  1. Oct 22, 2017 #1
    I need good books on Molecular Orbital Theory. The book(s) should have the basics, and the level should not be less than graduation.

    I have Quantum mechanics books, but they don't throw any light on this. My course books are rubbish, only mentioning the name of the theory and some illogical thoughts, which I know very well are wrong.
  2. jcsd
  3. Oct 22, 2017 #2


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    Google Books; ' Molecular Orbital Theory ' will give you many links to relevant books.
  4. Oct 22, 2017 #3
    You need Inorganic chemistry by Catherine E Housecroft.
  5. Oct 22, 2017 #4
    True, but they'll not be recommended by experts, which I'll get here.
  6. Oct 22, 2017 #5


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    How about: Ballhausen, C., Gray, H. - Molecular Orbital Theory (Benjamin, 1965)? I think it is quite readable, the first 135 pages contain the theory from simple, basic topics up until advanced things. I wonder what our distinguished member @DrDu would suggest.
  7. Oct 22, 2017 #6


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    Distinguished member remembers mainly Szabo, Ostlund, Modern Quantum Chemistry, Dover Publications. Like any book on orthodox MO theory a bit boring but rigorous, and at least still unpestered from DFT.
    I also remember Werner Kutzelnigg, Einführung in die Theoretische Chemie (not sure whether there is an english edition).
    More fun is Roy McWeeny, Methods of Molecular Quantum Mechanics.
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