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The electronic structure of lithium acetylene and related molecules

✍ Scribed by Alan Hinchliffe


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
468 KB
Volume
37
Category
Article
ISSN
0022-2860

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Electronic and structural properties of
✍ Russell J. Boyd; Sai Cheng Choi; Christopher C. Hale πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 512 KB

Ab initio SCF >I0 calculations are reported for benzene, s-triazine, borazinc and boroxine. The Laplacian of the charge density and the hlullilien population analysis procedure demonstrate that the dclocalization of the 'IT electrons decreases and rhc polariry of the ring bonds increases substantial