Homework3_amended_revised - 110B Physical Chemistry...

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Unformatted text preview: 110B Physical Chemistry Homework #3: due 2/8/12 in class Problem #2 originally assigned is replaced by the following problem: 2.1 Explain what the Hueckel approximation is and for which type of systems it is usually adopted. Explain in detail all approximations involved. 2.2 Consider aniline (C6H5NH2) and naftalene (C10H8). For which of these two molecules would you choose to use the Hueckel approximation to describe the MOs? Which MOs would you try and describe with the Hueckel approximation? Set up (but do not try to solve) Hueckel MO theory for the chosen molecule. If you have already done problem #2 that was originally assigned, that's good too! It will be part of homework #4. ...
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