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Ab initio calculations were performed with Gaussian 94 Revision D.3, Gaussian, Inc.; Pittsburgh, PA, 1995. HOMO plots were drawn with SPARTAN V. 4.1.2.
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Torsional strain is different from the steric repulsion. Although the methyl group is considerably larger than hydrogen, the torsional energy (the rotation barrier) in propane is only a little higher than for ethane (3.3 kcal/ mol vs 3.0 kcal/mol)
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Torsional strain is different from the steric repulsion. Although the methyl group is considerably larger than hydrogen, the torsional energy (the rotation barrier) in propane is only a little higher than for ethane (3.3 kcal/ mol vs 3.0 kcal/mol).
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