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Volumn 106, Issue , 1997, Pages 79-92

Computer simulation of zeolite structure and reactivity using embedded cluster methods

Author keywords

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Indexed keywords


EID: 2742608402     PISSN: 13596640     EISSN: None     Source Type: Journal    
DOI: 10.1039/a701790a     Document Type: Article
Times cited : (172)

References (48)
  • 10
    • 84962367344 scopus 로고
    • ed. K. B. Lipkowitz and D. B. Boyd, VCH, New York
    • J. Gao, in Reviews of Computational Chemistry, ed. K. B. Lipkowitz and D. B. Boyd, VCH, New York, 1995, vol. 7, p. 119.
    • (1995) Reviews of Computational Chemistry , vol.7 , pp. 119
    • Gao, J.1
  • 23
    • 34250817103 scopus 로고
    • A. D. Becke, J. Chem. Phys., 1993, 98, 1372; P. J. Stephens, F. J. Devlin, C. F. Chabalowski and M. J. Frisch, J. Phys. Chem., 1994, 98, 11623.
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 32
    • 2742518086 scopus 로고
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoeffel and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, M. Dupuis, N. C. Handy, I H. Hillier, P. J Knowles, V. Bonacic-Koutecky, W. von Niessen, A. P. Rendell, V. R. Saunders and A. J. Stone. The package was derived from the original GAMESS code due to M. Dupuis, D. Spangler and J. Wendoloski, NRCC Software Catalog, vol. 1, Program QG01 (GAMESS) 1980.
    • (1980) NRCC Software Catalog, Vol. 1, Program QG01 (GAMESS) , vol.1
    • Dupuis, M.1    Spangler, D.2    Wendoloski, J.3
  • 33
    • 2742521314 scopus 로고    scopus 로고
    • DL POLY is a package of molecular simulation routines written by W. Smith and T. R. Forester, copyright The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory, nr. Warrington, 1996
    • DL POLY is a package of molecular simulation routines written by W. Smith and T. R. Forester, copyright The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory, nr. Warrington, 1996.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.