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Small-cluster calculation of the electronic energy levels of corundum by the CNDO method

✍ Scribed by G. Martino; R. Girlanda


Book ID
112883621
Publisher
Società Italiana di Fisica
Year
1982
Weight
181 KB
Volume
34
Category
Article
ISSN
0375-930X

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Total energy of (CH)8 isomers calculated
✍ Hiizu Iwamura; Kazuhiko Morio; Michinori ōki; Tosiyasu L. Kunii 📂 Article 📅 1970 🏛 Elsevier Science 🌐 French ⚖ 186 KB

The CND0/2 calculations have since introduction by Pople and coworkers 1 proved quite satisfactory in reproducing molecular geometry. The method