Simulations of internal rotation potenti
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Alice Chung-Phillips; Thomas A. Stevenson
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Article
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1990
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John Wiley and Sons
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English
β 986 KB
Two approaches to the simulation of internal rotation potential energies in substituted ethanes are formulated for general applications. Called the vicinal Fourier coefficient and vicinal pair energy methods, they differ only in form. The latter procedure has the advantage of yielding energy terms t