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Volumn 181, Issue 1-3, 1998, Pages 151-157

Ab initio molecular orbital study on the gas phase SN2 reaction F- + CH3Cl → CH3F + Cl-

Author keywords

Ab initio molecular orbital (MO) calculation; Direct ab initio dynamics; Energy distribution; SN2 reaction

Indexed keywords


EID: 0346226355     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/s1387-3806(98)14195-7     Document Type: Article
Times cited : (26)

References (39)
  • 1
    • 0000749473 scopus 로고
    • The Theory of Chemical Reaction Dynamics
    • M. Baer (Ed.) Boca Raton, Chap. 4
    • See, for example, (a) M. Baer, in The Theory of Chemical Reaction Dynamics, M. Baer (Ed.) Chemical Rubber, Boca Raton, 1985, Vol. II, Chap. 4; (b) State-Selected and State- to-State Ion-Molecule Reaction Dynamics: Part I, Experiment, C.Y. Ng, M. Baer (Eds.) Vol. 82; ibid. Part II, Theory, M. Baer, C.Y. Ng (Eds.), in Advances in Chemical Physics, Wiley, New York, 1992.
    • (1985) Chemical Rubber , vol.2
    • Baer, M.1
  • 3
    • 0004273321 scopus 로고
    • ibid. Part II, Theory, Wiley, New York
    • See, for example, (a) M. Baer, in The Theory of Chemical Reaction Dynamics, M. Baer (Ed.) Chemical Rubber, Boca Raton, 1985, Vol. II, Chap. 4; (b) State-Selected and State- to-State Ion-Molecule Reaction Dynamics: Part I, Experiment, C.Y. Ng, M. Baer (Eds.) Vol. 82; ibid. Part II, Theory, M. Baer, C.Y. Ng (Eds.), in Advances in Chemical Physics, Wiley, New York, 1992.
    • (1992) Advances in Chemical Physics
    • Baer, M.1    Ng, C.Y.2
  • 16
    • 0347077512 scopus 로고    scopus 로고
    • Program code of the direct ab initio dynamics calculation was made by our group
    • (g) Program code of the direct ab initio dynamics calculation was made by our group.
  • 30


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.