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Journal of Physical Chemistry A

Volumn 104, Issue 34, 2000, Pages 7925-7926

Nonadiabatic trajectories at an exhibition

(2) Hack, Michael D a Truhlar, Donald G a

a University of Minnesota (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; MATRIX ALGEBRA; POTENTIAL ENERGY; QUANTUM THEORY;

NONADIABATIC TRAJECTORIES; TIME-DEPENDENT SELF-CONSISTENT FIELD (TDSCF) METHODS; TRAJECTORY SURFACE-HOPPING (TSH) METHODS;

CHEMICAL EXHIBITIONS;

EID: 0034247973 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp001629r Document Type: Article

Times cited : (168)

References (77)

1
- 0002911251
- Miller, W. H. Adv. Chem. Phys. 1974, 25, 69;
- (1974) Adv. Chem. Phys. , vol.25 , pp. 69
- Miller, W.H.¹

2
- 0002368873
- Miller, W. H. Adv. Chem. Phys. 1975, 30, 77.
- (1975) Adv. Chem. Phys. , vol.30 , pp. 77
- Miller, W.H.¹

3
- 0343189958
- Bernstein, R. B.,'Ed.; Plenum: New York
- Gentry, W. R. In Atom-Molecule Collision Theory; Bernstein, R. B.,'Ed.; Plenum: New York, 1979; p 391.
- (1979) Atom-Molecule Collision Theory , pp. 391
- Gentry, W.R.¹

4
- 0141830181
- Karplus, M.; Raff, L. M. J. Chem. Phys. 1964, 41, 1267.
- (1964) J. Chem. Phys. , vol.41 , pp. 1267
- Karplus, M.¹ Raff, L.M.²

5
- 0013677660
- Bunker, D. L.; Biais, N. C. J. Chem. Phys. 1964, 41, 2377.
- (1964) J. Chem. Phys. , vol.41 , pp. 2377
- Bunker, D.L.¹ Biais, N.C.²

6
- 36849129194
- Karplus, M.; Porter, R. N.; Sharma, R. D. J. Chem. Phys. 1965, 43, 3259.
- (1965) J. Chem. Phys. , vol.43 , pp. 3259
- Karplus, M.¹ Porter, R.N.² Sharma, R.D.³

7
- 0002460114
- Bernstein, R. B., Ed.; Plenum: New York
- Truhlar, D. G.; Muckerman, J. T. In Atom-Molecule Collision Theory; Bernstein, R. B., Ed.; Plenum: New York, 1979; p 505.
- (1979) Atom-Molecule Collision Theory , pp. 505
- Truhlar, D.G.¹ Muckerman, J.T.²

8
- 0009436157
- Bernstein, R. B., Ed.; Plenum: New York
- Child, M. S. In Atom-Molecule Collision Theory; Bernstein, R. B., Ed.; Plenum: New York, 1979; p 427.
- (1979) Atom-Molecule Collision Theory
- Child, M.S.¹

9
- 0002507440
- Thompson, D. C., Ed.; World Scientific: Singapore
- Tully, J. C. In Modem Methods for Multidimensional Dynamics Computations in Chemistry; Thompson, D. C., Ed.; World Scientific: Singapore, 1998; p 34.
- (1998) Modem Methods for Multidimensional Dynamics Computations in Chemistry , pp. 34
- Tully, J.C.¹

10
- 0000869961
- Schwenke, D. W.; Mielke, S. L.; Tawa, G. J.; Friedman, R. S.; Halvick, P.; Truhlar, D. G. Chem. Phys. Lett. 1993, 203, 565.
- (1993) Chem. Phys. Lett. , vol.203 , pp. 565
- Schwenke, D.W.¹ Mielke, S.L.² Tawa, G.J.³ Friedman, R.S.⁴ Halvick, P.⁵ Truhlar, D.G.⁶

11
- 1842779728
- Mielke, S. L.; Tawa, G. J.; Truhlar, D. G.; Schwenke, D. W. J. Am. Chem. Soc. 1993, 115, 6436.
- (1993) Am. Chem. Soc. , vol.115 , pp. 6436
- Mielke, S.L.¹ Tawa, G.J.² Truhlar, D.G.³ Schwenke, D.W.J.⁴

12
- 84987082533
- Mielke, S. L.; Tawa, G. J.; Truhlar, D. G.; Schwenke, D. W. Int. J. Quantum Chem. Symp. 1993, 27, 621.
- (1993) Int. J. Quantum Chem. Symp. , vol.27 , pp. 621
- Mielke, S.L.¹ Tawa, G.J.² Truhlar, D.G.³ Schwenke, D.W.⁴

13
- 36448999109
- Tawa, G. J.; Mielke, S. L.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Phys. 1994, 100, 5751.
- (1994) Chem. Phys. , vol.100 , pp. 5751
- Tawa, G.J.¹ Mielke, S.L.² Schwenke, D.W.³ Truhlar, D.G.J.⁴

14
- 0000212932
- Gilibert, M.; Baer, M. J. Phys. Chem. 1994, 98, 12822.
- (1994) J. Phys. Chem. , vol.98 , pp. 12822
- Gilibert, M.¹ Baer, M.²

15
- 0342320489
- Gilibert, M.; Baer, M. J. Phys. Chem. 1995, 99, 5748.
- (1995) Phys. Chem. , vol.99 , pp. 5748
- Gilibert, M.¹ Baer, M.J.²

16
- 0029304828
- Schatz, G. C. J. Chem. Phys. 1995, 99, 7522.
- (1995) J. Chem. Phys. , vol.99 , pp. 7522
- Schatz, G.C.¹

17
- 0002915792
- Mielke, S. L.; Tawa, G. J.; Truhlar, D. G.; Schwenke, D. W. Chem. Phys. Lett. 1995, 234, 57.
- (1995) Chem. Phys. Lett. , vol.234 , pp. 57
- Mielke, S.L.¹ Tawa, G.J.² Truhlar, D.G.³ Schwenke, D.W.⁴

18
- 33751156622
- Mielke, S. L.; Tawa, G. J.; Truhlar, D. G.; Schwenke, D. W. J. Phys. Chem. 1995, 99, 16210.
- (1995) J. Phys. Chem. , vol.99 , pp. 16210
- Mielke, S.L.¹ Tawa, G.J.² Truhlar, D.G.³ Schwenke, D.W.⁴

19
- 33751156622
- Mielke, S. L.; Schwenke, D. W.; Truhlar, D. G. J. Phys. Chem. 1995, 99, 16210.
- (1995) J. Phys. Chem. , vol.99 , pp. 16210
- Mielke, S.L.¹ Schwenke, D.W.² Truhlar, D.G.³

20
- 33748634387
- Allison, T. C.; Mielke, S. L.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Soc., Faraday Trans. 1997, 93, 825.
- (1997) J. Chem. Soc., Faraday Trans. , vol.93 , pp. 825
- Allison, T.C.¹ Mielke, S.L.² Schwenke, D.W.³ Truhlar, D.G.⁴

21
- 0000117359
- Topaler, M. S.; Hack, M. D.; Allison, T. C.; Liu, Y.-P.; Mielke, S. L.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Phys. 1997, 106, 8699.
- (1997) J. Chem. Phys. , vol.106 , pp. 8699
- Topaler, M.S.¹ Hack, M.D.² Allison, T.C.³ Liu, Y.-P.⁴ Mielke, S.L.⁵ Schwenke, D.W.⁶ Truhlar, D.G.⁷

22
- 0031206760
- Last, L; Giliber, M.; Baer, M. J. Chem. Phys. 1997, 107, 1451.
- (1997) J. Chem. Phys. , vol.107 , pp. 1451
- Last, L.¹ Giliber, M.² Baer, M.³

23
- 0007082113
- Topaler, M. S.; Allison, T. C.; Schwenke, D. W.; Truhlar, D. G. J. Phys. Chem. A 1998, 102, 1666.
- (1998) J. Phys. Chem. A , vol.102 , pp. 1666
- Topaler, M.S.¹ Allison, T.C.² Schwenke, D.W.³ Truhlar, D.G.⁴

24
- 1842779733
- Topaler, M. S.; Allison, T. C.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Phys. 1998, 109, 3321;
- (1998) J. Chem. Phys. , vol.109 , pp. 3321
- Topaler, M.S.¹ Allison, T.C.² Schwenke, D.W.³ Truhlar, D.G.⁴

25
- 0000371015
- E
- Topaler, M. S.; Allison, T. C.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Phys. 1999, 110, 687 (E).
- (1999) J. Chem. Phys. , vol.110 , pp. 687
- Topaler, M.S.¹ Allison, T.C.² Schwenke, D.W.³ Truhlar, D.G.⁴

26
- 0000106626
- Volobuev, Y. L.; Hack, M. D.; Truhlar, D. G.; Truhlar, J. Phys. Chem. A 1999, 103, 6225.
- (1999) J. Phys. Chem. A , vol.103 , pp. 6225
- Volobuev, Y.L.¹ Hack, M.D.² Truhlar, D.G.³ Truhlar⁴

27
- 0000416638
- Hack, M. D.; Jasper, A. W.; Volobuev, Y. L.; Schwenke, D. W.; Truhlar, D. G. J. Phys. Chem. A 1999, 103, 6309.
- (1999) J. Phys. Chem. A , vol.103 , pp. 6309
- Hack, M.D.¹ Jasper, A.W.² Volobuev, Y.L.³ Schwenke, D.W.⁴ Truhlar, D.G.⁵

28
- 0001124375
- Gray, S. K.; Petrongolo, C.; Drukker, K.; Schatz, G. C. J. Phys. Chem. A 1999, 103, 9448.
- (1999) J. Phys. Chem. A , vol.103 , pp. 9448
- Gray, S.K.¹ Petrongolo, C.² Drukker, K.³ Schatz, G.C.⁴

29
- 0000264354
- Hack, M. D.; Jasper, A. W.; Volobuev, Y. L.; Schwenke, D. W.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 217.
- (2000) J. Phys. Chem. A , vol.104 , pp. 217
- Hack, M.D.¹ Jasper, A.W.² Volobuev, Y.L.³ Schwenke, D.W.⁴ Truhlar, D.G.⁵

30
- 0033687789
- Volobuev, Y. L.; Hack, M. D.; Topaler, M. S.; Truhlar, D. G. J. Chem. Phys. 2000, 112, 9716.
- (2000) J. Chem. Phys. , vol.112 , pp. 9716
- Volobuev, Y.L.¹ Hack, M.D.² Topaler, M.S.³ Truhlar, D.G.⁴

31
- 0003422709
- Wiley: New York
- Salem, L. Electrons in Chemical Reactions; Wiley: New York, 1982.
- (1982) Electrons in Chemical Reactions
- Salem, L.¹

32
- 0004177544
- Jones and Bartlett: Boston, MA
- Simons, J. Energetic Principles of Chemical Reactions; Jones and Bartlett: Boston, MA, 1983.
- (1983) Energetic Principles of Chemical Reactions
- Simons, J.¹

33
- 0003581880
- Bonacic-Koutecky VI Wiley: New York
- Michl, J.; Bonacic-Koutecky, VI Electronic Aspects of Organic Photochemistry; Wiley: New York, 1990.
- (1990) Electronic Aspects of Organic Photochemistry
- Michl, J.¹

34
- 0003396374
- Formosinho, S. J., Csizmadia, I. G., Arnaut, L. G., Eds.; Kluwer: Dordrecht
- Michl, J. In Theoretical and Computational Models for Organic Chemistry; Formosinho, S. J., Csizmadia, I. G., Arnaut, L. G., Eds.; Kluwer: Dordrecht, 1991; p 207.
- (1991) Theoretical and Computational Models for Organic Chemistry , pp. 207
- Michl, J.¹

35
- 0002531683
- Hirschfelder, J. O.; Meath, W. J. Adv. Chem. Phys. 1967, 12, 3.
- (1967) Adv. Chem. Phys. , vol.12 , pp. 3
- Hirschfelder, J.O.¹ Meath, W.J.²

36
- 0008517966
- Garrett, B. C.; Truhlar, D. G. Theor. Chem. Adv. Persp. 1981, 6A, 216.
- (1981) Theor. Chem. Adv. Persp. , vol.6 , pp. 216
- Garrett, B.C.¹ Truhlar, D.G.²

37
- 0342320479
- Rebentrost, F. Theor. Chem. Adv. Persp. 1981, 6B, 3.
- (1981) Theor. Chem. Adv. Persp. , vol.6 B , pp. 3
- Rebentrost, F.¹

38
- 0001420279
- Miller, W. H., Ed.; Plenum: New York
- Tully, J. C. In Dynamics of Molecular Collisions; Miller, W. H., Ed.; Plenum: New York, 1976; Part B, p 217.
- (1976) Dynamics of Molecular Collisions , Issue.PART B , pp. 217
- Tully, J.C.¹

39
- 33751034573
- Mead, C. A.; Truhlar, D. G. J. Chem. Phys. 1982, 77, 6090.
- (1982) J. Chem. Phys. , vol.77 , pp. 6090
- Mead, C.A.¹ Truhlar, D.G.²

40
- 0001090336
- Tully, J. C. /. Chem. Phys. 1973, 59, 5122.
- (1973) /. Chem. Phys. , vol.59 , pp. 5122
- Tully, J.C.¹

41
- 0000483806
- Numrich, R. W.; Truhlar, D. G. /. Chem. Phys. 1975, 79, 2745.
- (1975) /. Chem. Phys. , vol.79 , pp. 2745
- Numrich, R.W.¹ Truhlar, D.G.²

42
- 0001129542
- Delos, J. B.; Thorson, W. R. J. Chem. Phys. 1979, 70, 1774.
- (1979) Chem. Phys. , vol.70 , pp. 1774
- Delos, J.B.¹ Thorson, W.R.J.²

43
- 84861233956
- Baer, M. Mol. Phys. 1980, 40, 1011.
- (1980) Mol. Phys. , vol.40 , pp. 1011
- Baer, M.¹

44
- 0001296070
- Sidis, V. Adv. Chem. Phys. 1992, 82, 187.
- (1992) Adv. Chem. Phys. , vol.82 , pp. 187
- Sidis, V.¹

45
- 0000867224
- Halvick, P.; Truhlar, D. G. J. Chem. Phys. 1992, 96, 2895.
- (1992) J. Chem. Phys. , vol.96 , pp. 2895
- Halvick, P.¹ Truhlar, D.G.²

46
- 0000673575
- Ruedenberg, K.; Atchity, G. J. J. Chem. Phys. 1993, 99, 3799.
- (1993) J. Chem. Phys. , vol.99 , pp. 3799
- Ruedenberg, K.¹ Atchity, G.J.²

47
- 0031285813
- Atchity, G. J.; Ruedenberg, K. Theor. Chem. Ace. 1997, 97, 47.
- (1997) Theor. Chem. Ace. , vol.97 , pp. 47
- Atchity, G.J.¹ Ruedenberg, K.²

48
- 0031578987
- Garcia, V. M.; Reguero, M.; Caballol, R.; Malrieu, J. P. Chem. Phys. Lett. 1997, 281, 161.
- (1997) Chem. Phys. Lett. , vol.281 , pp. 161
- Garcia, V.M.¹ Reguero, M.² Caballol, R.³ Malrieu, J.P.⁴

49
- 0000708133
- Topaler, M.; Truhlar, D. G.; Chang, X. Y.; Piecuch, P.; Polanyi, J. C. J. Chem. Phys. 1998, 108, 5349.
- (1998) J. Chem. Phys. , vol.108 , pp. 5349
- Topaler, M.¹ Truhlar, D.G.² Chang, X.Y.³ Piecuch, P.⁴ Polanyi, J.C.⁵

50
- 0000241807
- Hack, M. D.; Truhlar, D. G. J. Chem. Phys. 1999, 110, 4315.
- (1999) J. Chem. Phys. , vol.110 , pp. 4315
- Hack, M.D.¹ Truhlar, D.G.²

51
- 33645931031
- Kliiner, T.; Thiel, S.; Staemmler, V. J. Phys. B 1999, 32, 4931.
- (1999) J. Phys. B , vol.32 , pp. 4931
- Kliiner, T.¹ Thiel, S.² Staemmler, V.³

52
- 33947564300
- Teller, E. J. Phys. Chem. 1937, 41, 109.
- (1937) J. Phys. Chem. , vol.41 , pp. 109
- Teller, E.¹

53
- 0001980554
- Koppel, H.; Domcke, W.; Cederbaum, L. S. Adv. Chem. Phys. 1984, 57, 59.
- (1984) Adv. Chem. Phys. , vol.57 , pp. 59
- Koppel, H.¹ Domcke, W.² Cederbaum, L.S.³

54
- 33751052200
- Biais, N. C.; Truhlar, D. G. J. Chem. Phys. 1983, 79, 1334.
- (1983) J. Chem. Phys. , vol.79 , pp. 1334
- Biais, N.C.¹ Truhlar, D.G.²

55
- 13044304431
- Tully, J. C. J. Chem. Phys. 1990, 93, 1061.
- (1990) J. Chem. Phys. , vol.93 , pp. 1061
- Tully, J.C.¹

56
- 0001245214
- Kuntz, P. J. J. Chem. Phys. 1991, 95, 141.
- (1991) J. Chem. Phys. , vol.95 , pp. 141
- Kuntz, P.J.¹

57
- 0000863047
- Chapman, S. Adv. Chem. Phys. 1992, 82, 423.
- (1992) Adv. Chem. Phys. , vol.82 , pp. 423
- Chapman, S.¹

58
- 0342657916
- Meyer, H.-D.; Miller, W. H. J. Chem. Phys. 1979, 70, 3214.
- (1979) J. Chem. Phys. , vol.70 , pp. 3214
- Meyer, H.-D.¹ Miller, W.H.²

59
- 36749120380
- Micha, D. A. J. Chem. Phys. 1983, 78, 7138.
- (1983) J. Chem. Phys. , vol.78 , pp. 7138
- Micha, D.A.¹

60
- 0342755303
- Durup, J. Chem. Phys. Lett. 1990, 173, 537.
- (1990) Chem. Phys. Lett. , vol.173 , pp. 537
- Durup, J.¹

61
- 0000586826
- García-Vela, A.; Gerber, R. B.; Imre, D. G. J. Chem. Phys. 1992, 97, 7242.
- (1992) Chem. Phys. , vol.97 , pp. 7242
- García-Vela, A.¹ Gerber, R.B.² Imre, D.G.J.³

62
- 36749114316
- Gerber, R. B.; Buch, V.; Ratner, M. A. J. Chem. Phys. 1982, 77, 3022.
- (1982) J. Chem. Phys. , vol.77 , pp. 3022
- Gerber, R.B.¹ Buch, V.² Ratner, M.A.³

63
- 0002860206
- Buch, V.; Gerber, R. B.; Ratner, M. A. Chem. Phys. Lett. 1983, 101, 44.
- (1983) Chem. Phys. Lett. , vol.101 , pp. 44
- Buch, V.¹ Gerber, R.B.² Ratner, M.A.³

64
- 0000331613
- Alimi, R.; Gerber, R. B.; Hammerich, A. D.; Kosloff, R.; Ratner, M. A. J. Chem. Phys. 1990, 93, 6484.
- (1990) J. Chem. Phys. , vol.93 , pp. 6484
- Alimi, R.¹ Gerber, R.B.² Hammerich, A.D.³ Kosloff, R.⁴ Ratner, M.A.⁵

65
- 36149009714
- Langer, R. E. Phys. Rev. 1937, 51, 669.
- (1937) Phys. Rev. , vol.51 , pp. 669
- Langer, R.E.¹

66
- 36549100281
- Herman, M. F. J. Chem. Phys. 1984, 81, 754.
- (1984) J. Chem. Phys. , vol.81 , pp. 754
- Herman, M.F.¹

67
- 36849103764
- Miller, W. H.; George, T. F. J. Chem. Phys. 1972, 56, 5637.
- (1972) J. Chem. Phys. , vol.56 , pp. 5637
- Miller, W.H.¹ George, T.F.²

68
- 0001082365
- Müller, U.; Stock, G. J. Chem. Phys. 1997, 107, 6230.
- (1997) J. Chem. Phys. , vol.107 , pp. 6230
- Müller, U.¹ Stock, G.²

69
- 33645931463
- unpublished
- Jasper, A. W.; Hack M. D.; Truhlar, D. G., unpublished.
- Jasper, A.W.¹ Hack, M.D.² Truhlar, D.G.³

70
- 0000732252
- Fang, J.-Y.; Hammes-Schiffer, S. J. Phys. Chem. A 1999, 103, 9399.
- (1999) J. Phys. Chem. A , vol.103 , pp. 9399
- Fang, J.-Y.¹ Hammes-Schiffer, S.²

71
- 0343189931
- Paul, J., Ed.; C. H. Webb: New York
- Twain, M. The Celebrated Jumping Frog of Calaveras County, and Other Sketches; Paul, J., Ed.; C. H. Webb: New York, 1867.
- (1867) The Celebrated Jumping Frog of Calaveras County, and Other Sketches
- Twain, M.¹

72
- 0000206510
- Herman, M. F. J. Chem. Phys. 1999, 111, 10427.
- (1999) J. Chem. Phys. , vol.111 , pp. 10427
- Herman, M.F.¹

73
- 0001388662
- R. G. Gordon, J. Chem. Phys. 1966, 44, 3083.
- (1966) J. Chem. Phys. , vol.44 , pp. 3083
- Gordon, R.G.¹

74
- 0038523980
- Blais, N. C.; Truhlar, D. G. J. Chem. Phys. 1976, 65, 5335.
- (1976) J. Chem. Phys. , vol.65 , pp. 5335
- Blais, N.C.¹ Truhlar, D.G.²

75
- 84987141255
- Truhlar, D. G. Int. J. Quantum Chem. Symp. 1976, 10, 239.
- (1976) Int. J. Quantum Chem. Symp. , vol.10 , pp. 239
- Truhlar, D.G.¹

76
- 0000013326
- Truhlar, D. G.; Reid, B. P.; Zurawski, D. E.; Gray, D. E. J. Phys. Chem. 1981, 85, 786.
- (1981) J. Phys. Chem. , vol.85 , pp. 786
- Truhlar, D.G.¹ Reid, B.P.² Zurawski, D.E.³ Gray, D.E.⁴

77
- 0029635994
- Lynch, G. C.; Truhlar, D; G.; Brown, F. B.; Zhao, J. J. Phys. Chem. 1995, 99, 207.
- (1995) J. Phys. Chem. , vol.99 , pp. 207
- Lynch, G.C.¹ Truhlar, D.G.² Brown, F.B.³ Zhao, J.⁴

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