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Volumn 102, Issue 1, 1998, Pages 242-247

Reaction-path dynamics in redundant internal coordinates

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BROMINE COMPOUNDS; COMPUTATIONAL METHODS; MATRIX ALGEBRA;

EID: 0031673117     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9724028     Document Type: Article
Times cited : (131)

References (64)
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    • Fukui, K. In Applied Quantum Chemistry; Smith, Jr., V. H., Schaefer III, H. F., Morokuma, K., Eds.; Reidel: Dordrecht, 1986; pp 1-25.
    • (1986) Applied Quantum Chemistry , pp. 1-25
    • Fukui, K.1
  • 54
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    • Although "natural coordinates" (Fogarasi, G.; Zhou, X.; Taylor, P. W.; Pulay, P. J. Am. Chem. Soc. 1992, 114, 8191) might provide a useful set of nonredundant internal coordinates, they were not tried.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 8191
    • Fogarasi, G.1    Zhou, X.2    Taylor, P.W.3    Pulay, P.4
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    • University of Minnesota
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    • (1997) MORATE-version 7.4
    • Chuang, Y.-Y.1    Hu, W.-P.2    Lynch, G.C.3    Liu, Y.-P.4    Truhlar, D.G.5
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    • University of Minnesota, Minneapolis
    • Chuang, Y.-Y.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G. MORATE-version 7.4, University of Minnesota, 1997, based on POLYRATE-version 7.4 (ref 55) and on: Stewart, J. J. P.; Rossi, I.; Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Truhlar, D. G. MOPAC-version 5.05mn, University of Minnesota, Minneapolis, 1997.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.