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Volumn 102, Issue 18, 1998, Pages 3025-3036

Dynamics and kinetic isotope effect for the double proton transfer in formamidine monohydrated complex using direct semiempirical dynamics calculation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0011685440     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9733072     Document Type: Article
Times cited : (33)

References (79)
  • 70
    • 0344866718 scopus 로고    scopus 로고
    • University of Minnesota, Minneapolis
    • (b) Chuang, Y.-Y.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G. MORATE-version 7.2; University of Minnesota, Minneapolis, 1997, based on POLYRATE-version 7.2 by Steckler, R.; Chuang, Y.-Y.; Coitino, E. L.; Fast, P. L.; Corchado, J. C.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.;Nguyen, K. A.; Jackels, C. F.; Gu, M. Z.; Rossi, I.; Clayton, S.; Melissas, V. S.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G., University of Minnesota, Minneapolis, 1997, and MOPAC-version 5.05mn by Stewart, J. J.; Rossi, I.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G., University of Minnesota, Minneapolis, 1995.
    • (1997) MORATE-version 7.2
    • Chuang, Y.-Y.1    Hu, W.-P.2    Lynch, G.C.3    Liu, Y.-P.4    Truhlar, D.G.5
  • 72
    • 0005040343 scopus 로고
    • University of Minnesota, Minneapolis
    • (b) Chuang, Y.-Y.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G. MORATE-version 7.2; University of Minnesota, Minneapolis, 1997, based on POLYRATE-version 7.2 by Steckler, R.; Chuang, Y.-Y.; Coitino, E. L.; Fast, P. L.; Corchado, J. C.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.;Nguyen, K. A.; Jackels, C. F.; Gu, M. Z.; Rossi, I.; Clayton, S.; Melissas, V. S.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G., University of Minnesota, Minneapolis, 1997, and MOPAC-version 5.05mn by Stewart, J. J.; Rossi, I.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G., University of Minnesota, Minneapolis, 1995.
    • (1995) MOPAC-version 5.05mn
    • Stewart, J.J.1    Rossi, I.2    Hu, W.-P.3    Lynch, G.C.4    Liu, Y.-P.5    Truhlar, D.G.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.