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Structures and energetics of Si6Hx and Si6H+x clusters

✍ Scribed by Takehide Miyazaki; Tsuyoshi Uda; Ivan Štich; Kiyoyuki Terakura


Book ID
117217227
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
417 KB
Volume
377-379
Category
Article
ISSN
0039-6028

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Pseudopotential calculations on Si2H6 an
✍ Alexander F. Sax 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 734 KB

Local pseudopotential calculations have been performed for the ground state of disilane as well as for the lowest singlet and triplet states of disilene and silylsilylene. Comparison with all-electron calculations shows good agreement for geometries and relative stabilities.