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Theoretical Study on the Structure of the BrO Hydrates

✍ Scribed by Gálvez, O.; Zoermer, A.; Grothe, H.


Book ID
127295601
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
128 KB
Volume
110
Category
Article
ISSN
1089-5639

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Theoretical study on the stability and t
✍ S. Yamabe; K. Hirao; K. Kitaura 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 243 KB

The structure of Hh(n = 3,5,7,9,11) is determined from ab initio MO cakukxtions. The result for Hi(n = 5, 7,9) obtained by energy optimization in the 4-31G and 4-31G f p basis sets is reasonably eup!ained in terms of a charge-transfer interaction from Hz to Hi\_2 site. The orientation of Hz toward t