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Volumn 44, Issue 43, 2005, Pages 7119-7123

Experimental and theoretical investigation of the electronic and geometrical structures of the Au32 cluster

Author keywords

Cluster compounds; Density functional calculations; Gold; Photoelectron spectroscopy; Structure elucidation

Indexed keywords

PHOTOMULTIPLIERS; SPECTRUM ANALYSIS;

EID: 27744437032     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200502795     Document Type: Article
Times cited : (130)

References (32)
  • 26
    • 0004066445 scopus 로고    scopus 로고
    • Vrije Universiteit, Amsterdam, The Netherlands
    • The Amsterdam density functional (ADF) calculations (ADF 2004, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com)) were performed by using the GGA of Perdew-Wang 1991
    • Theoretical Chemistry
  • 29
    • 27744471312 scopus 로고    scopus 로고
    • see reference [16], for example
    • The VASP code is an efficient simulated-annealing method, which allows local minima to be readily identified. The ADF code, which has higher-quality basis sets and involves advanced relativistic treatment, is used to produce the final energy profiles for comparison with the experimental results. The good performance of ADF for Au clusters has been well tested in our previous studies in conjunction with PES data (see reference [16], for example).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.