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Ab initio simulation of and

✍ Scribed by Kirsi Manninen; Hannu Häkkinen; Matti Manninen


Book ID
116374240
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
267 KB
Volume
35
Category
Article
ISSN
0927-0256

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Ab initio path integral simulation of Ag
✍ Akihito Koizumi; Kimichi Suzuki; Motoyuki Shiga; Masanori Tachikawa 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 331 KB

## Abstract Ab initio path integral molecular dynamics simulation of MOH(H~2~O) (M = Cu, Ag, and Au) clusters has been performed to analyze how the hydrogen‐bonded proton can be affected by the counter noble metal cation. The CuOH(H~2~O) cluster does not form hydrogen bonded structure even for the

Ab initio simulation of the photoelectro
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