Abstract
The changes in molecular energy that occur when rotations take place about single bonds are of central importance in determining conformations and other structural details of organic molecules. Experimental work on these potential functions has recently been supplemented by a wide range of theoretical studies using molecular orbital techniques [1, 2]. These have proved quite promising and indicate that currently available theoretical methods may have considerable predictive value in stereochemistry as well as affording insight into the controlling electronic factors. In this review, some examples of such applications will be given, based on recent ab initio molecular orbital studies in this laboratory.
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© 1974 D. Reidel Publishing Company, Dordrecht-Holland
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Pople, J. (1974). Molecular Orbital Theory of the Conformation of Small Organic Molecules. In: Daudel, R., Pullman, B. (eds) The World of Quantum Chemistry. Académie Internationale des Sciences Moléculaires Quantiques / International Academy of Quantum Molecular Science, vol 1. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-2156-2_5
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DOI: https://doi.org/10.1007/978-94-010-2156-2_5
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