Number of the records: 1
Structures of gas-phase Ag-Pd nanoclusters: a computational study
- 1.
SYSNO ASEP 0354762 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Structures of gas-phase Ag-Pd nanoclusters: a computational study Author(s) Negreiros, F. R. (BR)
Kuntová, Zdeňka (FZU-D)
Barcaro, G. (IT)
Rossi, G. (IT)
Ferrando, R. (IT)
Fortunelli, A. (IT)Number of authors 6 Source Title Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606
Roč. 132, č. 23 (2010), 234703/1-234703/8Number of pages 8 s. Language eng - English Country US - United States Keywords density functional theory ; many body problems ; palladium alloys ; silver alloys ; RGL potentional ; optimalisation molecular clusters Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z10100521 - FZU-D (2005-2011) UT WOS 000279032000051 DOI 10.1063/1.3442911 Annotation Many-body EPs describing Pd-Pd, Ag-Ag, and Ag-Pd interactions reparametrized and used in thorough global optimization searches at sizes N=38, 60, and 100 and compositions 25%, 50%, and 75%. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2011
Number of the records: 1