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Studies on the reaction mechanism of RNAse T1 with quantum chemical reactivity indexes

✍ Scribed by Piet Demeester

Book ID
114395642
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
315 KB
Volume
15
Category
Article
ISSN
1381-1177

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## Abstract The reaction mechanism of OBrO with OH has been studied using the B3LYP/6‐311+G(d,p) and the high‐level electron‐correlation CCSD(T)/6‐311+G(d,p) at single‐point. The results show that the title reaction could probably proceed by four possible schemes, generating HOBr+O~2~, HBr+O~3~, Br