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Volumn 5, Issue 2, 2013, Pages 646-652

DFT study of the structures and energetics of 98-atom AuPd clusters

(8) Bruma, Alina a Ismail, Ramli a,b Oliver Paz Borbon L a,c Arslan, Haydar d Barcaro, Giovanni e Fortunelli, Alessandro e Li, Z Y a Johnston, Roy L a

a UNIVERSITY OF BIRMINGHAM (United Kingdom)

b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG (Germany)

c CHALMERS UNIVERSITY OF TECHNOLOGY (Sweden)

d ZONGULDAK KARAELMAS UNIVERSITY (Turkey)

e AREA DELLA RICERCA (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GLOBAL OPTIMIZATION;

AU-PD CLUSTERS; BASIN HOPPING; CHEMICAL ORDERING; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT LEVELS; DFT STUDY; EMPIRICAL POTENTIALS; GLOBAL OPTIMIZATION TECHNIQUES; MONTE CARLO APPROACH; SHELL OPTIMIZATION; STRUCTURAL MOTIFS;

STRUCTURAL OPTIMIZATION;

EID: 84871740210 PISSN: 20403364 EISSN: 20403372 Source Type: Journal
DOI: 10.1039/c2nr32517a Document Type: Article

Times cited : (61)

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