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Volumn 211, Issue 1-3, 1996, Pages 305-312

Dynamics of the vibrational mode-specific proton transfer reaction NH+3( ν1) + NH3 → NH2 + NH+4: Ab initio MO and classical trajectory studies

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EID: 0030517708     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(96)00205-4     Document Type: Article
Times cited : (14)

References (29)
  • 3
    • 0001296070 scopus 로고
    • Part II. Theory
    • Wiley, New York
    • See, for example, State-selected and state-to-state ion-molecule reaction dynamics, Part I. Experiment, Vol. 82, eds. C.-Y. Ng and M. Baer; Part II. Theory, eds. M. Baer and C.-Y. Ng, Advances in Chemical Physics (Wiley, New York, 1992).
    • (1992) Advances in Chemical Physics
    • Baer, M.1    Ng, C.-Y.2
  • 20
    • 84990634464 scopus 로고
    • (h) H. Tachikawa, S. Lunnel, C. Tornkvist and A. Lund, Int. J. Quantum. Chem. 43 (1992) 449, and J. Mol. Struct (THEOCHEM), 304 (1994) 25.
    • (1994) J. Mol. Struct (THEOCHEM) , vol.304 , pp. 25
  • 21
    • 0001685342 scopus 로고
    • edited by H.F. Schaefer Plenum, New York, Chap.4
    • P. Pulay, in Modern Theoretical Chemistry, edited by H.F. Schaefer (Plenum, New York, Vol.4, Chap.4, 1977).
    • (1977) Modern Theoretical Chemistry , vol.4
    • Pulay, P.1
  • 22
    • 33748545144 scopus 로고    scopus 로고
    • P.C. Hariharan and J.A. Pople, Theoret. Chim. Acta 82 (1973) 213; M.M, Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77 (1982) 3654; M.J. Frish, J.S. Binkley, H.B. Schlegel, K. Raghavachari, C.F. Melius, R.L. Martin, J.J.P. Stewart, F.W. Bobrowicz, C.M. Rohlfing, L.R. Kahn, D.J. DeFrees, R. Seeger, R.A. Whiteside, D.J. Fox, E.M. Fleuder, S. Topiol and J.A. Pople, Ab initio molecular orbital calculation program GAUSSIAN86 (Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh, PA, USA).
    • (1973) Theoret. Chim. Acta , vol.82 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2
  • 23
    • 33645949559 scopus 로고
    • P.C. Hariharan and J.A. Pople, Theoret. Chim. Acta 82 (1973) 213; M.M, Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77 (1982) 3654; M.J. Frish, J.S. Binkley, H.B. Schlegel, K. Raghavachari, C.F. Melius, R.L. Martin, J.J.P. Stewart, F.W. Bobrowicz, C.M. Rohlfing, L.R. Kahn, D.J. DeFrees, R. Seeger, R.A. Whiteside, D.J. Fox, E.M. Fleuder, S. Topiol and J.A. Pople, Ab initio molecular orbital calculation program GAUSSIAN86 (Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh, PA, USA).
    • (1982) J. Chem. Phys. , vol.77 , pp. 3654
    • Francl, M.M.1    Pietro, W.J.2    Hehre, W.J.3    Binkley, J.S.4    Gordon, M.S.5    DeFrees, D.J.6    Pople, J.A.7
  • 29
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    • in press
    • J.C. Greer, R. Ahlrichs and I.V. Hertel, Z. Physik D 18 (1991) 413; H. Tachikawa, J. Phys. Chem., in press.
    • J. Phys. Chem.
    • Tachikawa, H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.