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Volumn 108, Issue 21, 2004, Pages 4576-4586

Reaction of benzene and boron atom: Mechanism of formation of benzoborirene and hydrogen atom

Author keywords

[No Author keywords available]

Indexed keywords

COLLISION ENERGY; SELF CONSISTENT FIELDS; TRANSITION STATES; VALLEY RIDGE INFLECTION (VRI);

EID: 2942565980     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0375259     Document Type: Article
Times cited : (30)

References (64)
  • 17
    • 0037007923 scopus 로고    scopus 로고
    • Kaiser, R. I.; Bettinger, H. F. Angew. Chem. 2002, 114, 2456; Angew. Chem., Int. Ed. 2002, 41, 2350.
    • (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 2350
  • 40
    • 2942625273 scopus 로고    scopus 로고
    • note
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson. Version 2000.1.
  • 45
    • 0036589202 scopus 로고    scopus 로고
    • and references therein
    • For a more detailed description of the experimental setup, see: Kaiser, R. I. Chem. Rev. 2002. 102, 1309, and references therein.
    • (2002) Chem. Rev. , vol.102 , pp. 1309
    • Kaiser, R.I.1
  • 51
    • 0038249080 scopus 로고    scopus 로고
    • Jones, W.; Boissel, P.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S.; Lamaire, J.; Maitre, P. Angew. Chem. 2003, 115, 2103; Angew. Chem., Int. Ed. 2003, 42, 2057.
    • (2003) Angew. Chem., Int. Ed. , vol.42 , pp. 2057
  • 52
    • 0001188937 scopus 로고    scopus 로고
    • Solca, N.; Dopfer, O. Angew. Chem. 2002, 114, 3781; Angew. Chem., Int. Ed. 2002, 41, 3628.
    • (2002) Angew. Chem. , vol.114 , pp. 3781
    • Solca, N.1    Dopfer, O.2
  • 53
    • 0037020425 scopus 로고    scopus 로고
    • Solca, N.; Dopfer, O. Angew. Chem. 2002, 114, 3781; Angew. Chem., Int. Ed. 2002, 41, 3628.
    • (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 3628
  • 60
    • 2942558228 scopus 로고    scopus 로고
    • note
    • The imaginary vibrational frequency is also obtained when using with the finer integration grid (99 radial shells and 590 angular points per shell).
  • 61
    • 2942618076 scopus 로고    scopus 로고
    • note
    • 56 the evolution of a system mainly depends on the shape of the wave packet in the entrance valley. With increasing velocity and gradient, the wave packet feels the bifurcating region less and less.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.