Calculate the barrier to internal rotation in ethane using AM1 and PM3. Compare the results to experiment

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Calculate the barrier to internal rotation in ethane using AM1 and PM3. Compare the results to experiment and to the HF/6-31G** result (Prob. 15.53).

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Quantum Chemistry

ISBN: 978-0321803450

7th edition

Authors: Ira N. Levine

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Question Posted: May 26, 2016 06:38 AM

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Use a molecular-mechanics program to calculate the barrier to internal rotation in ethane.
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Calculate the barrier to internal rotation in ethane using AM1 and PM3. Compare the results to experiment

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