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Volumn 106, Issue 1, 1997, Pages 142-150

On the "direct" calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction

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EID: 5544224506     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474109     Document Type: Article
Times cited : (102)

References (77)
  • 1
    • 0042361716 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1985) J. Phys. Chem. , vol.89 , pp. 2139
    • Jaquet, R.1    Miller, W.H.2
  • 2
    • 36549099160 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1985) J. Chem. Phys. , vol.82 , pp. 5475
    • Yamashita, K.1    Miller, W.H.2
  • 3
    • 3342922320 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1986) J. Phys. Chem. , vol.90 , pp. 3482
    • Tromp, J.W.1    Miller, W.H.2
  • 4
    • 36849088864 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1987) Faraday Discuss. Chem. Soc. , vol.84 , pp. 441
    • Tromp, J.W.1    Miller, W.H.2
  • 5
    • 36549093990 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1989) J. Chem. Phys. , vol.90 , pp. 904
    • Makri, N.1    Miller, W.H.2
  • 6
    • 0029356897 scopus 로고
    • R. Jaquet and W. H. Miller, J. Phys. Chem. 89, 2139 (1985); K. Yamashita and W. H. Miller, J. Chem. Phys. 82, 5475 (1985); J. W. Tromp and W. H. Miller, J. Phys. Chem. 90, 3482 (1986); J. W. Tromp and W. H. Miller, Faraday Discuss. Chem. Soc. 84, 441 (1987); N. Makri and W. H. Miller, J. Chem. Phys. 90, 904 (1989); W. H. Miller, J. Phys. Chem. 99, 12387 (1995).
    • (1995) J. Phys. Chem. , vol.99 , pp. 12387
    • Miller, W.H.1
  • 10
    • 0001288690 scopus 로고
    • (b) 88, 4897 (1988):
    • (1988) J. Chem. Phys. , vol.88 , pp. 4897
  • 11
  • 12
    • 34249845434 scopus 로고
    • (d) 94, 2946 (1991)
    • (1991) J. Chem. Phys. , vol.94 , pp. 2946
  • 13
    • 34249852735 scopus 로고
    • (e) 96, 8853 (1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 8853
  • 15
    • 0000517401 scopus 로고
    • M. Thachuk and G. C. Schatz, J. Chem. Phys. 97, 7297 (1992); R. P. McRae, G. K. Schenter, B. C. Garrett, G. R. Haynes, G. A. Voth, and G. C. Schatz, ibid. 97, 7392 (1992); M. Thachuk, H. R. Mayne, and G. C. Schatz, ibid. 99, 3516 (1993); M. Thachuk and G. C. Schatz, ibid. 101, 6577 (1994).
    • (1992) J. Chem. Phys. , vol.97 , pp. 7297
    • Thachuk, M.1    Schatz, G.C.2
  • 17
    • 0040140956 scopus 로고
    • M. Thachuk and G. C. Schatz, J. Chem. Phys. 97, 7297 (1992); R. P. McRae, G. K. Schenter, B. C. Garrett, G. R. Haynes, G. A. Voth, and G. C. Schatz, ibid. 97, 7392 (1992); M. Thachuk, H. R. Mayne, and G. C. Schatz, ibid. 99, 3516 (1993); M. Thachuk and G. C. Schatz, ibid. 101, 6577 (1994).
    • (1993) J. Chem. Phys. , vol.99 , pp. 3516
    • Thachuk, M.1    Mayne, H.R.2    Schatz, G.C.3
  • 18
    • 0040734969 scopus 로고
    • M. Thachuk and G. C. Schatz, J. Chem. Phys. 97, 7297 (1992); R. P. McRae, G. K. Schenter, B. C. Garrett, G. R. Haynes, G. A. Voth, and G. C. Schatz, ibid. 97, 7392 (1992); M. Thachuk, H. R. Mayne, and G. C. Schatz, ibid. 99, 3516 (1993); M. Thachuk and G. C. Schatz, ibid. 101, 6577 (1994).
    • (1994) J. Chem. Phys. , vol.101 , pp. 6577
    • Thachuk, M.1    Schatz, G.C.2
  • 19
    • 5644241433 scopus 로고
    • G. Wahnström and H. Metiu, Chem. Phys. Lett. 134, 531 (1987); G. Wahnström and H. Metiu, J. Phys. Chem. 92, 3240 (1988); G. Wahnström, B. Carmeli, and H. Metiu, J. Chem. Phys. 88, 2478 (1988).
    • (1987) Chem. Phys. Lett. , vol.134 , pp. 531
    • Wahnström, G.1    Metiu, H.2
  • 20
    • 0000338239 scopus 로고
    • G. Wahnström and H. Metiu, Chem. Phys. Lett. 134, 531 (1987); G. Wahnström and H. Metiu, J. Phys. Chem. 92, 3240 (1988); G. Wahnström, B. Carmeli, and H. Metiu, J. Chem. Phys. 88, 2478 (1988).
    • (1988) J. Phys. Chem. , vol.92 , pp. 3240
    • Wahnström, G.1    Metiu, H.2
  • 21
    • 36549098209 scopus 로고
    • G. Wahnström and H. Metiu, Chem. Phys. Lett. 134, 531 (1987); G. Wahnström and H. Metiu, J. Phys. Chem. 92, 3240 (1988); G. Wahnström, B. Carmeli, and H. Metiu, J. Chem. Phys. 88, 2478 (1988).
    • (1988) J. Chem. Phys. , vol.88 , pp. 2478
    • Wahnström, G.1    Carmeli, B.2    Metiu, H.3
  • 23
    • 0344870339 scopus 로고
    • N. Rom, N. Moiseyev, and R. Lefebvre, J. Chem. Phys. 96, 8307 (1992); R. Lefebvre, V. Ryaboy, and N. Moiseyev, ibid. 98, 8601 (1993); V. Ryaboy and R. Lefebvre, ibid. 99, 9547 (1993).
    • (1992) J. Chem. Phys. , vol.96 , pp. 8307
    • Rom, N.1    Moiseyev, N.2    Lefebvre, R.3
  • 24
    • 0038956713 scopus 로고
    • N. Rom, N. Moiseyev, and R. Lefebvre, J. Chem. Phys. 96, 8307 (1992); R. Lefebvre, V. Ryaboy, and N. Moiseyev, ibid. 98, 8601 (1993); V. Ryaboy and R. Lefebvre, ibid. 99, 9547 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 8601
    • Lefebvre, R.1    Ryaboy, V.2    Moiseyev, N.3
  • 25
    • 0000165183 scopus 로고
    • N. Rom, N. Moiseyev, and R. Lefebvre, J. Chem. Phys. 96, 8307 (1992); R. Lefebvre, V. Ryaboy, and N. Moiseyev, ibid. 98, 8601 (1993); V. Ryaboy and R. Lefebvre, ibid. 99, 9547 (1993).
    • (1993) J. Chem. Phys. , vol.99 , pp. 9547
    • Ryaboy, V.1    Lefebvre, R.2
  • 26
    • 0001574492 scopus 로고
    • N. Makri, J. Chem. Phys. 94, 4949 (1991); M. Topaler and N. Makri, ibid. 101, 7500 (1994).
    • (1991) J. Chem. Phys. , vol.94 , pp. 4949
    • Makri, N.1
  • 33
    • 0039754383 scopus 로고
    • J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982); J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985); Z. Bačić and J. C. Light, ibid. 85, 4594 (1986); R. M. Whitnell and J. C. Light, ibid. 89, 3674 (1988).
    • (1982) Chem. Phys. Lett. , vol.89 , pp. 483
    • Lill, J.V.1    Parker, G.A.2    Light, J.C.3
  • 34
    • 0000450531 scopus 로고
    • J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982); J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985); Z. Bačić and J. C. Light, ibid. 85, 4594 (1986); R. M. Whitnell and J. C. Light, ibid. 89, 3674 (1988).
    • (1985) J. Chem. Phys. , vol.82 , pp. 1400
    • Light, J.C.1    Hamilton, I.P.2    Lill, J.V.3
  • 35
    • 33646429410 scopus 로고
    • J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982); J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985); Z. Bačić and J. C. Light, ibid. 85, 4594 (1986); R. M. Whitnell and J. C. Light, ibid. 89, 3674 (1988).
    • (1986) J. Chem. Phys. , vol.85 , pp. 4594
    • Bačić, Z.1    Light, J.C.2
  • 36
    • 36549104170 scopus 로고
    • J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982); J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985); Z. Bačić and J. C. Light, ibid. 85, 4594 (1986); R. M. Whitnell and J. C. Light, ibid. 89, 3674 (1988).
    • (1988) J. Chem. Phys. , vol.89 , pp. 3674
    • Whitnell, R.M.1    Light, J.C.2
  • 41
    • 0008849937 scopus 로고
    • D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989); D. Neuhauser and M. Baer, ibid. 91, 4651 (1989); D. Neuhauser, M. Baer, and D. J. Kouri, ibid. 93, 2499 (1990).
    • (1989) J. Chem. Phys. , vol.90 , pp. 4351
    • Neuhauser, D.1    Baer, M.2
  • 42
    • 0000721426 scopus 로고
    • D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989); D. Neuhauser and M. Baer, ibid. 91, 4651 (1989); D. Neuhauser, M. Baer, and D. J. Kouri, ibid. 93, 2499 (1990).
    • (1989) J. Chem. Phys. , vol.91 , pp. 4651
    • Neuhauser, D.1    Baer, M.2
  • 43
    • 0000644979 scopus 로고
    • D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989); D. Neuhauser and M. Baer, ibid. 91, 4651 (1989); D. Neuhauser, M. Baer, and D. J. Kouri, ibid. 93, 2499 (1990).
    • (1990) J. Chem. Phys. , vol.93 , pp. 2499
    • Neuhauser, D.1    Baer, M.2    Kouri, D.J.3
  • 44
    • 0000111968 scopus 로고
    • G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985); G. Jolicard and E. J. Austin, ibid 103, 295 (1986); G. Jolicard and M. Y. Perrin, ibid. 116, 1 (1987); G. Jolicard, C. Leforestier, and E. J. Austin, J. Chem. Phys. 88, 1026 (1988).
    • (1985) Chem. Phys. Lett. , vol.121 , pp. 106
    • Jolicard, G.1    Austin, E.J.2
  • 45
    • 33748622447 scopus 로고
    • G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985); G. Jolicard and E. J. Austin, ibid 103, 295 (1986); G. Jolicard and M. Y. Perrin, ibid. 116, 1 (1987); G. Jolicard, C. Leforestier, and E. J. Austin, J. Chem. Phys. 88, 1026 (1988).
    • (1986) Chem. Phys. Lett. , vol.103 , pp. 295
    • Jolicard, G.1    Austin, E.J.2
  • 46
    • 5644301563 scopus 로고
    • G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985); G. Jolicard and E. J. Austin, ibid 103, 295 (1986); G. Jolicard and M. Y. Perrin, ibid. 116, 1 (1987); G. Jolicard, C. Leforestier, and E. J. Austin, J. Chem. Phys. 88, 1026 (1988).
    • (1987) Chem. Phys. Lett. , vol.116 , pp. 1
    • Jolicard, G.1    Perrin, M.Y.2
  • 47
    • 36549097540 scopus 로고
    • G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985); G. Jolicard and E. J. Austin, ibid 103, 295 (1986); G. Jolicard and M. Y. Perrin, ibid. 116, 1 (1987); G. Jolicard, C. Leforestier, and E. J. Austin, J. Chem. Phys. 88, 1026 (1988).
    • (1988) J. Chem. Phys. , vol.88 , pp. 1026
    • Jolicard, G.1    Leforestier, C.2    Austin, E.J.3
  • 48
    • 0011497838 scopus 로고
    • I. Last, D. Neuhauser, and M. Baer, J. Chem. Phys. 96, 2017 (1992); I. Last and M. Baer, Chem. Phys. Lett. 189, 84 (1992); I. Last, A. Baram, and M. Baer, ibid. 195, 435 (1992); I. Last, A. Baram, H. Szichman, and M. Baer, J. Phys. Chem. 97, 7040 (1993).
    • (1992) J. Chem. Phys. , vol.96 , pp. 2017
    • Last, I.1    Neuhauser, D.2    Baer, M.3
  • 49
    • 0012249571 scopus 로고
    • I. Last, D. Neuhauser, and M. Baer, J. Chem. Phys. 96, 2017 (1992); I. Last and M. Baer, Chem. Phys. Lett. 189, 84 (1992); I. Last, A. Baram, and M. Baer, ibid. 195, 435 (1992); I. Last, A. Baram, H. Szichman, and M. Baer, J. Phys. Chem. 97, 7040 (1993).
    • (1992) Chem. Phys. Lett. , vol.189 , pp. 84
    • Last, I.1    Baer, M.2
  • 50
    • 0012277185 scopus 로고
    • I. Last, D. Neuhauser, and M. Baer, J. Chem. Phys. 96, 2017 (1992); I. Last and M. Baer, Chem. Phys. Lett. 189, 84 (1992); I. Last, A. Baram, and M. Baer, ibid. 195, 435 (1992); I. Last, A. Baram, H. Szichman, and M. Baer, J. Phys. Chem. 97, 7040 (1993).
    • (1992) Chem. Phys. Lett. , vol.195 , pp. 435
    • Last, I.1    Baram, A.2    Baer, M.3
  • 51
    • 0000910199 scopus 로고
    • I. Last, D. Neuhauser, and M. Baer, J. Chem. Phys. 96, 2017 (1992); I. Last and M. Baer, Chem. Phys. Lett. 189, 84 (1992); I. Last, A. Baram, and M. Baer, ibid. 195, 435 (1992); I. Last, A. Baram, H. Szichman, and M. Baer, J. Phys. Chem. 97, 7040 (1993).
    • (1993) J. Phys. Chem. , vol.97 , pp. 7040
    • Last, I.1    Baram, A.2    Szichman, H.3    Baer, M.4
  • 52
    • 36449003572 scopus 로고
    • T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992); 97, 2499 (1992); W. H. Miller and T. Seideman, in Time Dependent Quantum Molecular Dynamics: Experiment and Theory, edited by J. Broeckhove (NATO, ARW, 1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 4412
    • Seideman, T.1    Miller, W.H.2
  • 53
    • 36449009593 scopus 로고
    • T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992); 97, 2499 (1992); W. H. Miller and T. Seideman, in Time Dependent Quantum Molecular Dynamics: Experiment and Theory, edited by J. Broeckhove (NATO, ARW, 1992).
    • (1992) J. Chem. Phys. , vol.97 , pp. 2499
  • 70
    • 37949056262 scopus 로고
    • edited by by M. N. R. Ashfold and J. E. Baggott Royal Society of Chemistry
    • I. W. M. Smith in Bimolecular Collisions edited by by M. N. R. Ashfold and J. E. Baggott (Royal Society of Chemistry, 1989), p. 53.
    • (1989) Bimolecular Collisions , pp. 53
    • Smith, I.W.M.1
  • 77
    • 5644238323 scopus 로고    scopus 로고
    • private communication
    • B. Ramachandran (private communication).
    • Ramachandran, B.1


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