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Volumn 24, Issue 6, 2003, Pages 797-801

ONIOM and its applications to material chemistry and catalyses

Author keywords

Catalyses; Hybrid method; Material chemistry; ONIOM

Indexed keywords

ANALYTIC METHOD; CATALYSIS; CHEMICAL ANALYSIS; CONFERENCE PAPER; ENZYME MECHANISM; MATERIALS HANDLING; MOLECULAR INTERACTION; MOLECULAR MECHANICS; QUANTUM CHEMISTRY; RELIABILITY; STEREOCHEMISTRY; STRUCTURE ANALYSIS;

EID: 0042066599     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2003.24.6.797     Document Type: Conference Paper
Times cited : (133)

References (23)
  • 3
    • 0004133516 scopus 로고    scopus 로고
    • Inc.: Pittsburgh, PA
    • Frisch, M. J. et al. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998; Frisch, M. J. et al. Gaussian 03, Revision A.1; Pittsburgh, PA, 2003.
    • (1998) Gaussian 98, Revision A.1
    • Frisch, M.J.1
  • 4
    • 0141704726 scopus 로고    scopus 로고
    • Pittsburgh, PA
    • Frisch, M. J. et al. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998; Frisch, M. J. et al. Gaussian 03, Revision A.1; Pittsburgh, PA, 2003.
    • (2003) Gaussian 03, Revision A.1
    • Frisch, M.J.1
  • 6
    • 0001771710 scopus 로고    scopus 로고
    • Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner P. R., Eds.; John Wiley: Chichester
    • Froese, R. D. J.; Morokuma, K. In The Encyclopedia of Computational Chemistry; Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner P. R., Eds.; John Wiley: Chichester, 1998; p 1245.
    • (1998) The Encyclopedia of Computational Chemistry , pp. 1245
    • Froese, R.D.J.1    Morokuma, K.2
  • 23
    • 0037530063 scopus 로고    scopus 로고
    • Kerdcharoen, T.; Morokuma, K. Chem. Phys. Lett. 2002, 355, 257; J. Chem. Phys. 2003, 118, 8856.
    • (2003) J. Chem. Phys. , vol.118 , pp. 8856


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.