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Vibrational modes and specific heat of A1Si and A1Ge alloy systems

✍ Scribed by Toshinobu Soma; Isao Kitabatake; Hiroko-Matsuo Kagaya


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
262 KB
Volume
92
Category
Article
ISSN
0038-1098

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A G1 ab initio MO study of the distonic
✍ A. Luna; O. Mó; M. Yáñez 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 398 KB

Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than