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Volumn 105, Issue 17, 2001, Pages 4333-4343

First-principle molecular dynamic simulations along the intrinsic reaction paths

Author keywords

[No Author keywords available]

Indexed keywords

REACTION PATHS;

EID: 0035799954     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0041297     Document Type: Article
Times cited : (33)

References (93)
  • 2
    • 0000323669 scopus 로고    scopus 로고
    • Grotrndorst, J., Ed.; NIC Series 1; John von Neumann Institute f Computing: Jiilich, and references therein.
    • Marx, D.; Hutter, J. In Modem Methods and Algorithms of Quantum hemistry, Grotrndorst, J., Ed.; NIC Series 1; John von Neumann Institute )f Computing: Jiilich, 2000; pp 301-449 and references therein.
    • (2000) Modem Methods and Algorithms of Quantum Hemistry , pp. 301-449
    • Marx, D.1    In, H.J.2
  • 4
    • 33645880869 scopus 로고    scopus 로고
    • ACS Symposium Series 721; Cruhlar D. G., Morokuma, K., Eds.; American Chemical Society: Washngton, DC
    • Woo, T. K.; Margl, P. M. Deng, L. Cavalio L, Ziegler, T. In transition State Modeling for Catalysis; ACS Symposium Series 721; Cruhlar D. G., Morokuma, K., Eds.; American Chemical Society: Washngton, DC, 1998; pp 173-186.
    • (1998) Transition State Modeling for Catalysis , pp. 173-186
    • Woo, T.K.1    Margl, P.M.2    Deng, L.3    Cavalio, L.4    Ziegler, T.5
  • 22
    • 85037316449 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Calgary, Calgary
    • Woo, T. K. Ph.D. Thesis, University of Calgary, Calgary, 1998.
    • (1998)
    • Woo, T.K.1
  • 35
    • 85037294086 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Calgary, Calgary
    • Deng, L. Ph.D. Thesis, University of Calgary, Calgary, 1996.
    • (1996)
    • Deng, L.1
  • 48
    • 0042413797 scopus 로고    scopus 로고
    • ACS Symposium Series 721; Truhlar D. G., Morokuma, K., Eds.; American Chemical Society: Washington, DC
    • Blöchl P. E.; Senn H. M.; Togni, A. In Transition state Modeling for Catalysis; ACS Symposium Series 721; Truhlar D. G., Morokuma, K., Eds.; American Chemical Society: Washington, DC, 1998; pp 88-99.
    • (1998) Transition State Modeling for Catalysis , pp. 88-99
    • Blöchl, P.E.1    Senn, H.M.2    Togni, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.