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Unformatted text preview: e. The Eyring equation f. Quantum mechanical determination of transition state structures g. Quantum mechanical determination of activation free energies The Final has two parts. The first in-class part is similar to the in-class part of your midterm exams. The main difference is that your answers to questions are worth a lot more on the final than they were on the midterms. Also, the final has a larger fraction of multiple-choice and true-false type questions. The second, take-home part has one question: 1) Calculate the rate constant for the unimolecular process that consists of internal rotation around the amide bond in N , N-dimethylformamide (at room temperature) using quantum mechanical HF/6-31G(d) model. Compare your result with one published value from the literature; provide the reference you used. Outline the process you took to obtain the rate constant, and show the key calculations. (20 points)...
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This note was uploaded on 01/09/2011 for the course CHEM 111 taught by Professor Kahn during the Fall '08 term at UCSB.
- Fall '08