For each of the following molecules, do AM1 and PM3 calculations to find the predicted geometry, dipole

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For each of the following molecules, do AM1 and PM3 calculations to find the predicted geometry, dipole moment, and gas-phase ∆Hof,298. Compare with experimental ∆Hof,298 values in thermodynamics tables.
(a) CH3CH2CH3;
(b) H2S;
(c) Benzene.

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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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For each of the following molecules, do AM1 and PM3 calculations to find the predicted geometry, dipole

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a The results are where C1 is an end carbon b c p...View the full answer

Quantum Chemistry

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