𝔖 Bobbio Scriptorium
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An ab initio study of the BF3H2O complex

✍ Scribed by David W. Ball


Book ID
113258232
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
478 KB
Volume
331
Category
Article
ISSN
0166-1280

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Electronic and geometrical structure of
✍ Fabien Gatti; Nathalie Berthe-Gaujac; Isabelle Demachy; François Volatron 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 421 KB

The structure of the diboroxane H2B-O-BH2 has been studied by means of ab initio calculations at the MP4/6-311G\*\*// MP2/6-31 IG\*\* level. Two minima have been characterized on the potential energy surface (PES): one is of DEd symmetry, analogous to the isoelectronic allene molecule, and the other