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Theoretical Study on Structures and Properties of N2O···HOCl Complexes

✍ Scribed by Ku YUAN; Yanzhi LIU; Weichao MA; Huian TANG; Yuancheng ZHU; Ji ZHANG

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
258 KB
Volume
27
Category
Article
ISSN
0256-7660

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Theoretical Study on the Coupling Mode o
Theoretical Study on the Coupling Mode of BrOH2O and HOBrH2O Complexes
✍ Sun Qiao; Li Zhen; Zeng Xiao-Qing; Ge Mao-Fa; Wang Dian-Xu 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 118 KB

## Abstract The structural properties of two BrOH~2~O (1 and 2) and three HOBrH~2~O complexes (3, 4 and 5) have been investigated using four methods at the 6‐311++G(d,p) basis set level. In the two BrOH~2~O complexes, the complex 2 with ^2^A′ state, in which the interaction exists between Br ato