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Theoretical Investigation on the Interaction of C2H Radical with Small Gold Clusters Aun0/−(n

✍ Scribed by Li, Da-Zhi; Song, Ming-Zhi; Xu, Qiu-Hong; Zhang, Shi-Guo


Book ID
113070610
Publisher
Springer
Year
2012
Tongue
English
Weight
436 KB
Volume
23
Category
Article
ISSN
1040-7278

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A theoretical investigation on optimal s
✍ Hiroshi Takeuchi 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 470 KB

## Abstract Geometry optimization of ethane clusters (C~2~H~6~)~__n__~ in the range of __n__ ≤ 25 is carried out with a Morse potential. A heuristic method based on perturbations of geometries is used to locate global minima of the clusters. The following perturbations are carried out: (1) the mole