## 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
✦ LIBER ✦
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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