𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study on the reaction mechanism of carbaryl with OH radicals

✍ Scribed by S. Sun; K. Zhang; Y. Lu; A. Wang; H. Zhang

Book ID
124152893
Publisher
Springer-Verlag
Year
2014
Tongue
English
Weight
859 KB
Volume
20
Category
Article
ISSN
1610-2940

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical study on the mechanism for t
Theoretical study on the mechanism for the reaction of OH with CH2CHCH(OH)CH3
✍ Yunju Zhang; Jingyu Sun; Kai Chao; Fang Wang; Hao Sun; ShuWei Tang; Xiumei Pan; πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 821 KB

The detailed potential energy surface for the key atmospheric reaction of OH with CH 2 @CHCH(OH)CH 3 (3-buten-2-ol) has been investigated at the CCSD(T)/6-311++G(d,p)//MP2(full)/6-311++G(d,p) level. Various possible H-abstraction and addition-elimination pathways are identified. It is predicted that

Quantum chemical study on the reaction m
Quantum chemical study on the reaction mechanism of OBrO radical with OH radical
✍ Min Zhao; Yan-Ling Zhao; Peng-Jun Liu; Ying-Fei Chang; Xiu-Mei Pan; Zhong-Min Su πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 374 KB πŸ‘ 2 views

## 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