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Ab-initio calculations of the equilibrium geometry of β-propiolactone (2-oxetanone) by the force method

✍ Scribed by Colin Thomson

Book ID
104580106
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
333 KB
Volume
18
Category
Article
ISSN
0020-7608

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Ab initio calculation of equilibrium geo
Ab initio calculation of equilibrium geometry and hyperfine coupling constants of the cyclopentane cation
✍ M.B. Huang; S. Lunell; A. Lund 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 439 KB

The equilibrium geometry and hyperfime coupling constants of the cyclopentane cation have been calculated by the UHF method, within the ab initio MO LCAO SCF approximation. A non-planar carbon framework of Cs symmetry was found with one carbon atom out of the &me of the others. The geometry and the