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Volumn 125, Issue 19, 2006, Pages

Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; CARBON; CHLORIDE MINERALS; COMPUTER SIMULATION; LASER BEAM EFFECTS; MATHEMATICAL MODELS; MOLECULAR BEAMS; PHOTODISSOCIATION; POTENTIAL ENERGY;

EID: 33845476731     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2363991     Document Type: Article
Times cited : (21)

References (146)
  • 12
    • 0009380937 scopus 로고
    • edited by D.Henderson (Academic, New York
    • B. C. Garret and D. G. Truhlar, in Theoretical Chemistry: Advances and Perspectives, edited by, D. Henderson, (Academic, New York, 1981), Vol 6 A, p. 215 [Theor. Chem. (N.Y.) 6A ("Theory of Scattering: Papers in Honor of Henry Eyring"), p. 215 (1981)].
    • (1981) Theoretical Chemistry: Advances and Perspectives , vol.6 , pp. 215
    • Garret, B.C.1    Truhlar, D.G.2
  • 15
    • 0001560164 scopus 로고
    • edited by M.Baer (CRC, Boca Raton, FL
    • M. Baer, in Theory of Chemical Reaction Dynamics, edited by, M. Baer, (CRC, Boca Raton, FL, 1985), Vol. 2, p. 219.
    • (1985) Theory of Chemical Reaction Dynamics , vol.2 , pp. 219
    • Baer, M.1
  • 38
    • 0000791544 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.471784
    • T. L. Myers, D. C. Kitchen, B. Hu, and L. J. Butler, J. Chem. Phys. 0021-9606 10.1063/1.471784 104, 5446 (1996); T. L. Myers, D. C. Kitchen, B. Hu, and L. J. Butler J. Chem. Phys. 105, 2948 (E) (1996).
    • (1996) J. Chem. Phys. , vol.104 , pp. 5446
    • Myers, T.L.1    Kitchen, D.C.2    Hu, B.3    Butler, L.J.4
  • 39
    • 0000791544 scopus 로고    scopus 로고
    • T. L. Myers, D. C. Kitchen, B. Hu, and L. J. Butler, J. Chem. Phys. 0021-9606 10.1063/1.471784 104, 5446 (1996); T. L. Myers, D. C. Kitchen, B. Hu, and L. J. Butler J. Chem. Phys. 105, 2948 (E) (1996).
    • (1996) J. Chem. Phys. , vol.105 , pp. 2948
    • Myers, T.L.1    Kitchen, D.C.2    Hu, B.3    Butler, L.J.4
  • 62
    • 6344235244 scopus 로고
    • 0009-2614 10.1016/0009-2614(92)85354-D
    • K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85354-D 190, 374 (1992); K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85710-R 196, 397 (1992); K. Hirao, Int. J. Quantum Chem., Quantum Chem. Symp. 26, 517 (1992);
    • (1992) Chem. Phys. Lett. , vol.190 , pp. 374
    • Hirao, K.1
  • 63
    • 5244301246 scopus 로고
    • 0009-2614 10.1016/0009-2614(92)85710-R
    • K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85354-D 190, 374 (1992); K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85710-R 196, 397 (1992); K. Hirao, Int. J. Quantum Chem., Quantum Chem. Symp. 26, 517 (1992);
    • (1992) Chem. Phys. Lett. , vol.196 , pp. 397
    • Hirao, K.1
  • 64
    • 84990719374 scopus 로고
    • K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85354-D 190, 374 (1992); K. Hirao, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85710-R 196, 397 (1992); K. Hirao, Int. J. Quantum Chem., Quantum Chem. Symp. 26, 517 (1992);
    • (1992) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.26 , pp. 517
    • Hirao, K.1
  • 66
    • 33745044263 scopus 로고
    • 0021-9606 10.1063/1.465674
    • H. Nakano, J. Chem. Phys. 0021-9606 10.1063/1.465674 99, 7983 (1993). H. Nakano, Chem. Phys. Lett. 207, 372 (1993).
    • (1993) J. Chem. Phys. , vol.99 , pp. 7983
    • Nakano, H.1
  • 67
    • 24444441064 scopus 로고
    • H. Nakano, J. Chem. Phys. 0021-9606 10.1063/1.465674 99, 7983 (1993). H. Nakano, Chem. Phys. Lett. 207, 372 (1993).
    • (1993) Chem. Phys. Lett. , vol.207 , pp. 372
    • Nakano, H.1
  • 82
    • 33748545144 scopus 로고
    • 0040-5744 10.1007/BF00533485
    • P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 0040-5744 10.1007/BF00533485 28, 213 (1973); 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. 0021-9606 10.1063/1.444267 77, 3654 (1982); R. C. Binning, Jr. and L. A. Curtiss, J. Comput. Chem. 11, 1206 (1990).
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2
  • 83
    • 33645949559 scopus 로고
    • 0021-9606 10.1063/1.444267
    • P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 0040-5744 10.1007/BF00533485 28, 213 (1973); 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. 0021-9606 10.1063/1.444267 77, 3654 (1982); R. C. Binning, Jr. and L. A. Curtiss, J. Comput. Chem. 11, 1206 (1990).
    • (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
  • 84
    • 84934460107 scopus 로고
    • P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 0040-5744 10.1007/BF00533485 28, 213 (1973); 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. 0021-9606 10.1063/1.444267 77, 3654 (1982); R. C. Binning, Jr. and L. A. Curtiss, J. Comput. Chem. 11, 1206 (1990).
    • (1990) J. Comput. Chem. , vol.11 , pp. 1206
    • Binning Jr., R.C.1    Curtiss, L.A.2
  • 95
    • 33746614482 scopus 로고
    • 0021-9606 10.1063/1.456153
    • T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.456153 90, 1007 (1989); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993); A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999).
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning Jr., T.H.1
  • 96
    • 3843146349 scopus 로고
    • 0021-9606 10.1063/1.464303
    • T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.456153 90, 1007 (1989); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993); A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999).
    • (1993) J. Chem. Phys. , vol.98 , pp. 1358
    • Woon, D.E.1    Dunning Jr., T.H.2
  • 97
    • 0001242018 scopus 로고    scopus 로고
    • T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.456153 90, 1007 (1989); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993); A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 7667
    • Wilson, A.K.1    Woon, D.E.2    Peterson, K.A.3    Dunning Jr., T.H.4
  • 100
    • 33845506703 scopus 로고    scopus 로고
    • University of Minnesota, Minneapolis, MN
    • H. Nakamura, J. D. Xidos, J. D. Thompson, HONDOPLUS-V4.7, based on HONDO-V99.6, University of Minnesota, Minneapolis, MN, 2006.
    • (2006)
    • Nakamura, H.1    Xidos, J.D.2    Thompson, J.D.3
  • 101
    • 33845502118 scopus 로고    scopus 로고
    • M. Dupuis, A. Marquez, and E. R. Davidson, HONDO 99.6, based on HONDO 95.3; M. Dupuis, A. Marquez, and E. R. Davidson, Quantum Chemistry Program Exchange (QCPE), Indiana University, Bloomington, IN 47405, 1999.
    • Dupuis, M.1    Marquez, A.2    Davidson, E.R.3
  • 102
    • 33845477958 scopus 로고    scopus 로고
    • Indiana University, Bloomington, IN 47405
    • M. Dupuis, A. Marquez, and E. R. Davidson, HONDO 99.6, based on HONDO 95.3; M. Dupuis, A. Marquez, and E. R. Davidson, Quantum Chemistry Program Exchange (QCPE), Indiana University, Bloomington, IN 47405, 1999.
    • (1999)
    • Dupuis, M.1    Marquez, A.2    Davidson, E.R.3
  • 104
    • 33845504362 scopus 로고    scopus 로고
    • H.-J. Werner, P. J. Knowles, R. Lindh, MOLPRO, Version 2002.6, a package of ab initio programs (see http://www.molpro. net), Birmingham, UK, 2003.
    • Werner, H.-J.1    Knowles, P.J.2    Lindh, R.3


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