Representation of Chemical Systems and I
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Prof. Dr. Ivar Ugi; Dr. Paul Gillespie
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Article
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1971
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John Wiley and Sons
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English
β 235 KB
Both CND0/2 and MIND0/2 indicate a definite preference among the possible modes of ring opening : Contrary to earlier qualitative predictions['2J, our results show that disrotation 1 should require the lowest activation energy" Why is this reaction path more favorable than the others? The calculated