-
4
-
-
0034506645
-
-
L. B. Haiding, A. I. Maergoiz, J. Troe, and V. G. Ushakov, J. Chem. Phys. 113, 11019 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 11019
-
-
Haiding, L.B.1
Maergoiz, A.I.2
Troe, J.3
Ushakov, V.G.4
-
6
-
-
36448999093
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 733
-
-
Leforestier, C.1
Miller, W.H.2
-
7
-
-
36449002745
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3671
-
-
Zhang, D.H.1
Zhang, J.Z.H.2
-
8
-
-
36448999093
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6899
-
-
Dai, J.1
Zhang, J.Z.H.2
-
9
-
-
2942626545
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 3664
-
-
-
10
-
-
36449007233
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5998
-
-
Pack, R.T.1
Butcher, E.A.2
Parker, G.A.3
-
11
-
-
0037106437
-
-
C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994); D. H. Zhang and J. Z. H. Zhang, ibid. 101, 3671 (1994); J. Dai and J, Z. H. Zhang, J. Phys. Chem. 100, 6899 (1996); J. Chem. Phys. 104, 3664 (1996); R. T Pack, E. A, Butcher, and G. A. Parker, ibid. 102, 5998 (1995); H. Zhang and S. C. Smith, ibid. 117, 5174 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5174
-
-
Zhang, H.1
Smith, S.C.2
-
14
-
-
0034500622
-
-
E. M. Goldfield and A. J. H. M. Meijer, J. Chem. Phys. 113, 11055 (2000); A. Meijer and E. M. Goldneid, ibid. 110, 870 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 870
-
-
Meijer, A.1
Goldneid, E.M.2
-
18
-
-
0343950016
-
-
A. J. Dobbyn, M. Stumpf, H.-M, Keller, and R. Schinke, J. Chem. Phys. 104, 8357 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8357
-
-
Dobbyn, A.J.1
Stumpf, M.2
Keller, H.-M.3
Schinke, R.4
-
20
-
-
0011198847
-
-
M. R. Pastrana, L. A. M. Quintales, J. Brandao, and A. J. C. Varandas, J. Phys. Chem. 94, 8073 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8073
-
-
Pastrana, M.R.1
Quintales, L.A.M.2
Brandao, J.3
Varandas, A.J.C.4
-
23
-
-
36449005322
-
-
Z. Bacic and J. C. Light, Annu. Rev. Phys. Chem. 40, 469 (1989); J. M. Bowman and B. Gazdy, J. Chem. Phys. 94, 454 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 454
-
-
Bowman, J.M.1
Gazdy, B.2
-
29
-
-
0033559775
-
-
S. C. Smith, H. G. Yu, C. Leforestier, and J. C. Rayez, Phys. Chem. Chem. Phys. 1, 1311 (1999); H. G. Yu and S. C. Smith, J. Chem. Phys. 107, 9985 (1997); J. Comput. Phys. 143, 484 (1998).
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 1311
-
-
Smith, S.C.1
Yu, H.G.2
Leforestier, C.3
Rayez, J.C.4
-
30
-
-
0001280526
-
-
S. C. Smith, H. G. Yu, C. Leforestier, and J. C. Rayez, Phys. Chem. Chem. Phys. 1, 1311 (1999); H. G. Yu and S. C. Smith, J. Chem. Phys. 107, 9985 (1997); J. Comput. Phys. 143, 484 (1998).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9985
-
-
Yu, H.G.1
Smith, S.C.2
-
31
-
-
0001227961
-
-
S. C. Smith, H. G. Yu, C. Leforestier, and J. C. Rayez, Phys. Chem. Chem. Phys. 1, 1311 (1999); H. G. Yu and S. C. Smith, J. Chem. Phys. 107, 9985 (1997); J. Comput. Phys. 143, 484 (1998).
-
(1998)
J. Comput. Phys.
, vol.143
, pp. 484
-
-
-
37
-
-
0013489388
-
-
V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 103, 2903 (1995); 102. 7390 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7390
-
-
-
42
-
-
0000094594
-
-
J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations (Birkhauser, Boston, 1985); C. Lanczos, J. Res. Natl. Bur. Stand. 45, 255 (1950).
-
(1950)
J. Res. Natl. Bur. Stand.
, vol.45
, pp. 255
-
-
Lanczos, C.1
-
45
-
-
0037183032
-
-
H. Zhang and S. C. Smith, J. Phys. Chem. A 106, 6137 (2002); A. J. Rasmussen, S. J. Jeffrey, and S. C. Smith, Chem. Phys. Lett. 336, 149 (2001).
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 6137
-
-
Zhang, H.1
Smith, S.C.2
-
46
-
-
0003374888
-
-
H. Zhang and S. C. Smith, J. Phys. Chem. A 106, 6137 (2002); A. J. Rasmussen, S. J. Jeffrey, and S. C. Smith, Chem. Phys. Lett. 336, 149 (2001).
-
(2001)
Chem. Phys. Lett.
, vol.336
, pp. 149
-
-
Rasmussen, A.J.1
Jeffrey, S.J.2
Smith, S.C.3
-
48
-
-
2942526280
-
-
H. Zhang and S. C. Smith (unpublished)
-
H. Zhang and S. C. Smith (unpublished).
-
-
-
-
51
-
-
0003417929
-
-
MIT Press, Cambridge, MA
-
W. Gropp, E. Lusk, and A. Skjellum, Using MPI: Portable Parallel Programming with the Message-Passing Interface, 2nd ed. (MIT Press, Cambridge, MA, 1999).
-
(1999)
Using MPI: Portable Parallel Programming with the Message-passing Interface, 2nd Ed.
-
-
Gropp, W.1
Lusk, E.2
Skjellum, A.3
-
55
-
-
36549094914
-
-
S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990); C, Leforestier, ibid. 94, 6388 (1991); S. M. Auerbach and W. H. Miller, ibid. 100, 1103 (1994).
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 2129
-
-
Choi, S.E.1
Light, J.C.2
-
56
-
-
0000042386
-
-
S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990); C, Leforestier, ibid. 94, 6388 (1991); S. M. Auerbach and W. H. Miller, ibid. 100, 1103 (1994).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6388
-
-
Leforestier, C.1
-
57
-
-
36449006974
-
-
S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990); C, Leforestier, ibid. 94, 6388 (1991); S. M. Auerbach and W. H. Miller, ibid. 100, 1103 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1103
-
-
Auerbach, S.M.1
Miller, W.H.2
-
58
-
-
0004161838
-
-
Cambridge University Press, Cambridge, England
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes (Cambridge University Press, Cambridge, England, 1992).
-
(1992)
Numerical Recipes
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
61
-
-
0001040712
-
-
J. W. Pang, T. Dieckmann, J. Feigon, and D. Neuhauser, J. Chem. Phys. 108, 8360 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8360
-
-
Pang, J.W.1
Dieckmann, T.2
Feigon, J.3
Neuhauser, D.4
-
66
-
-
0037460534
-
-
M. A. Kostin, O. L. Polyansky, J. Tennyson, and H. Y. Mussa, J. Chem. Phys. 118, 3538 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3538
-
-
Kostin, M.A.1
Polyansky, O.L.2
Tennyson, J.3
Mussa, H.Y.4
-
67
-
-
2942533327
-
-
note
-
See EPAPS Document No. E-JCPSA6-120-005420 for Tables V-VIII. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
-
-
-
-
68
-
-
0001749337
-
-
A. J. Dobbyn, M. Stumpf, H.-M. Keller, W. L. Hase, and R. Schinke, J. Chem. Phys. 102, 5867 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5867
-
-
Dobbyn, A.J.1
Stumpf, M.2
Keller, H.-M.3
Hase, W.L.4
Schinke, R.5
-
69
-
-
0000853371
-
-
A. Geers, J. Kappert, F. Temps, and J. W. Wiebrecht, J. Chem. Phys. 99, 2271 (1993); W. H. Miller, R. Hernandez, C. B. Moore, and W. F. Polik, ibid. 93, 5657 (1990); S. A. Reid and H. Reisler, J. Phys. Chem. 100, 474 (1996).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2271
-
-
Geers, A.1
Kappert, J.2
Temps, F.3
Wiebrecht, J.W.4
-
70
-
-
36549103670
-
-
A. Geers, J. Kappert, F. Temps, and J. W. Wiebrecht, J. Chem. Phys. 99, 2271 (1993); W. H. Miller, R. Hernandez, C. B. Moore, and W. F. Polik, ibid. 93, 5657 (1990); S. A. Reid and H. Reisler, J. Phys. Chem. 100, 474 (1996).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 5657
-
-
Miller, W.H.1
Hernandez, R.2
Moore, C.B.3
Polik, W.F.4
-
71
-
-
0029679112
-
-
A. Geers, J. Kappert, F. Temps, and J. W. Wiebrecht, J. Chem. Phys. 99, 2271 (1993); W. H. Miller, R. Hernandez, C. B. Moore, and W. F. Polik, ibid. 93, 5657 (1990); S. A. Reid and H. Reisler, J. Phys. Chem. 100, 474 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 474
-
-
Reid, S.A.1
Reisler, H.2
-
72
-
-
36749118438
-
-
R. T Pack, J. Chem. Phys. 60, 633 (1974); P. McGuire and D. J. Kouri, ibid. 60, 2488 (1974).
-
(1974)
J. Chem. Phys.
, vol.60
, pp. 633
-
-
Pack, R.T.1
-
76
-
-
0033559699
-
-
S. K. Gray, E. M. Goldfield, G. C. Schatz, and G. G. Balint-Kurtii, Phys. Chem. Chem. Phys. 1, 1141 (1999); T. E. Carroll and E. M. Goldfield, J. Phys. Chem. A 105, 2251 (2001); S. Skokov, J. X. Qi, J. M. Bowman, C. Y. Yang, S. K. Gray, K. A. Peterson, and V. A. Mandelshtam, J. Chem. Phys. 109, 10273 (1998).
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 1141
-
-
Gray, S.K.1
Goldfield, E.M.2
Schatz, G.C.3
Balint-Kurtii, G.G.4
-
77
-
-
0035932690
-
-
S. K. Gray, E. M. Goldfield, G. C. Schatz, and G. G. Balint-Kurtii, Phys. Chem. Chem. Phys. 1, 1141 (1999); T. E. Carroll and E. M. Goldfield, J. Phys. Chem. A 105, 2251 (2001); S. Skokov, J. X. Qi, J. M. Bowman, C. Y. Yang, S. K. Gray, K. A. Peterson, and V. A. Mandelshtam, J. Chem. Phys. 109, 10273 (1998).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2251
-
-
Carroll, T.E.1
Goldfield, E.M.2
-
78
-
-
0032534398
-
-
S. K. Gray, E. M. Goldfield, G. C. Schatz, and G. G. Balint-Kurtii, Phys. Chem. Chem. Phys. 1, 1141 (1999); T. E. Carroll and E. M. Goldfield, J. Phys. Chem. A 105, 2251 (2001); S. Skokov, J. X. Qi, J. M. Bowman, C. Y. Yang, S. K. Gray, K. A. Peterson, and V. A. Mandelshtam, J. Chem. Phys. 109, 10273 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10273
-
-
Skokov, S.1
Qi, J.X.2
Bowman, J.M.3
Yang, C.Y.4
Gray, S.K.5
Peterson, K.A.6
Mandelshtam, V.A.7
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