𝔖 Bobbio Scriptorium
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Multiconfiguration SCF and CI calculations on the open and closed forms of the ozone molecule

✍ Scribed by Gunnar Karlström; Sven Engström; Bo Jönsson


Book ID
107731792
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
454 KB
Volume
57
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


Open (C2v) and closed (D3h) forms of the
✍ Norman R. Carlsen; Henry F. Schaefer III 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 292 KB

Ab inito molcc111ar clcctromc \tructurc thcorv has been used to prcdlct the structnrcs and rclatwe energiics of the normJ1 and ring zoomers of triatomic sulfur. Self-consistent-field theory was used in onjunction with a double zeta basis set S(lls7p/6~4p), augmented by three sets of s and p bond fun