Photoenolisation. X.. An ab initio SCF-C
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A. Sevin; B. Bigot; M. Pfau
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Article
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1979
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John Wiley and Sons
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German
β 749 KB
## Abstract The processes involved in photoenolisations are theoretically simulated by an __ab initio__ SCFβCI method, using __cis__β2βbutenal as a prototype structure. The prominent role of the hydroxyl group conformation in the resulting transient (**2a**) is emphasized; its rotation βout of the