A theoretical study of the abstraction r
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M.T. Rayez; D.J. Scollard; J.J. Treacy; H.W. Sidebottom; C. Balestra-Garcia; S.
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Article
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1994
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Elsevier Science
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English
⚖ 597 KB
The semi-empirical quantum mechanical molecular orbital method PM3 has been used to investigate the nature of the transition states for the reactions of hydroxyl radicals with halogenated aldehydes. For each reaction, the geometric and electronic structures of the transition state corresponding to t