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Volumn 112, Issue 31, 2008, Pages 11920-11928

Chemisorption-induced structural changes and transition from chemisorption to physisorption in Au6(CO)n- (n = 4-9)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC MECHANISMS; CO-ADSORPTION; CO-OXIDATION; GOLD CLUSTERS; STRUCTURAL CHANGES; SUPPORTED GOLD;

EID: 49649118536     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp803161b     Document Type: Article
Times cited : (53)

References (86)
  • 29
    • 0037436555 scopus 로고    scopus 로고
    • Cho, A. Science 2003, 299, 1684.
    • (2003) Science , vol.299 , pp. 1684
    • Cho, A.1
  • 66
    • 49649097193 scopus 로고    scopus 로고
    • Wang, L. S.; LiX. In Clusters and Nanostructure Interfaces; Jena, P.; Khanna, S. N.; Rao, B. K. Eds.;World Scientific: Englewood Cliffs, NJ, 2000; pp 293-300.
    • (a) Wang, L. S.; LiX. In Clusters and Nanostructure Interfaces; Jena, P.; Khanna, S. N.; Rao, B. K. Eds.;World Scientific: Englewood Cliffs, NJ, 2000; pp 293-300.
  • 69
    • 49649112260 scopus 로고    scopus 로고
    • Bylaska, E. J, et al, NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.0; Pacific Northwest National Laboratory: Richland, Washington 99352, USA, 2008
    • Bylaska, E. J., et al., NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.0; Pacific Northwest National Laboratory: Richland, Washington 99352, USA, 2008.
  • 83
    • 49649112510 scopus 로고    scopus 로고
    • The calculation details about these values can be found in ref 23. The basis sets used there are different from the current work. The calculated energy difference from the two kinds of basis sets is 0.03-0.05 eV for the same system.
    • The calculation details about these values can be found in ref 23. The basis sets used there are different from the current work. The calculated energy difference from the two kinds of basis sets is 0.03-0.05 eV for the same system.
  • 85
    • 33645898818 scopus 로고    scopus 로고
    • The bonding analysis calculations were performed using PW91 exchange-conelation functional and die zero-order regular approximation implemented in ADF 2006.01 SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com). (a) Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
    • The bonding analysis calculations were performed using PW91 exchange-conelation functional and die zero-order regular approximation implemented in ADF 2006.01 SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com). (a) Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.