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Journal of Molecular Structure: THEOCHEM

Volumn 454, Issue 2-3, 1998, Pages 307-314

Variational transition state theory calculations of thermal rate coefficients for the Q(3P) + HCl reaction

(5) Allison, Thomas C a Ramachandran, B b Senekowitsch, Jörg c Truhlar, Donald G a Wyatt, Robert E d

a University of Minnesota (United States)

b Louisiana Tech University (United States)

c IDAHO STATE UNIVERSITY (United States)

d UNIVERSITY OF TEXAS AT AUSTIN (United States)

Author keywords

Potential surfaces; Rate coefficients; Reaction barriers; Transition state theory

Indexed keywords

EID: 0000332949 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00300-5 Document Type: Article

Times cited : (16)

References (46)

1
- 0347708941
- V.P. Balakhnin, V.I. Egorov, E.I. Intezarova, Kinet. Katal. 12 (1971) 299.
- (1971) Kinet. Katal. , vol.12 , pp. 299
- Balakhnin, V.P.¹ Egorov, V.I.² Intezarova, E.I.³

2
- 0345817132
- V.P. Balakhnin, V.I. Egorov, E.I. Intezarova, Kinet. Catal. 12 (1971) 258.
- (1971) Kinet. Catal. , vol.12 , pp. 258
- Balakhnin, V.P.¹ Egorov, V.I.² Intezarova, E.I.³

3
- 0347708942
- E.L. Wong, F.E. Belles, NASA Tech. Note D-6495, 1975.
- (1975) NASA Tech. Note D-6495
- Wong, E.L.¹ Belles, F.E.²

4
- 25944434226
- E.L. Wong, F.E. Belles, Chem. Abstr. 76 (1972) 18326q.
- (1972) Chem. Abstr. , vol.76
- Wong, E.L.¹ Belles, F.E.²

5
- 0011614762
- D. Singleton, R. Cvetanovic, Int. J. Chem. Kinet. 13 (1975) 301.
- (1975) Int. J. Chem. Kinet. , vol.13 , pp. 301
- Singleton, D.¹ Cvetanovic, R.²

6
- 0000558808
- R.D.H. Brown, G.P. Glass, I.W.M. Smith, Chem. Phys. Lett. 32 (1975) 517.
- (1975) Chem. Phys. Lett. , vol.32 , pp. 517
- Brown, R.D.H.¹ Glass, G.P.² Smith, I.W.M.³

7
- 84986738387
- R.D.H. Brown, I.W.M. Smith, Int. J. Chem. Kinet. 7 (1975) 301.
- (1975) Int. J. Chem. Kinet. , vol.7 , pp. 301
- Brown, R.D.H.¹ Smith, I.W.M.²

8
- 33847089655
- A.R. Ravisankara, G. Smith, R.T. Watson, D.D. Davis, J. Phys. Chem. 81 (1977) 2220.
- (1977) J. Phys. Chem. , vol.81 , pp. 2220
- Ravisankara, A.R.¹ Smith, G.² Watson, R.T.³ Davis, D.D.⁴

9
- 0001270322
- W. Hack, G. Mex, H.G. Wagner, Ber. Bunsenges. Phys. Chem. 81 (1977) 677.
- (1977) Ber. Bunsenges. Phys. Chem. , vol.81 , pp. 677
- Hack, W.¹ Mex, G.² Wagner, H.G.³

10
- 0011687218
- C. Park, J. Phys. Chem. 81 (1977) 499.
- (1977) J. Phys. Chem. , vol.81 , pp. 499
- Park, C.¹

11
- 0345817133
- D.L. Baulch, J. Duxbury, S.J. Grant, D.C. Montague, J. Phys. Chem. Ref. Data 10(Suppl. 1) (1981).
- (1981) J. Phys. Chem. Ref. Data , vol.10 , Issue.1 SUPPL.
- Baulch, D.L.¹ Duxbury, J.² Grant, S.J.³ Montague, D.C.⁴

12
- 84898887146
- D.L. Baulch, R.A. Cox, R.F. Hampton Jr, , J.A. Kerr, J. Troe, R.T. Watson, J. Phys. Chem. Ref. Data 13 (1984) 1259.
- (1984) J. Phys. Chem. Ref. Data , vol.13 , pp. 1259
- Baulch, D.L.¹ Cox, R.A.² Hampton R.F., Jr.³ Kerr, J.A.⁴ Troe, J.⁵ Watson, R.T.⁶

13
- 0001466387
- K. Mahmud, J.S. Kim, A. Fontijn, J. Phys. Chem. 94 (1990) 2994.
- (1990) J. Phys. Chem. , vol.94 , pp. 2994
- Mahmud, K.¹ Kim, J.S.² Fontijn, A.³

14
- 84986753359
- R.D. Brown, I.W.M. Smith, Int. J. Chem. Kinet. 10 (1978) 1.
- (1978) Int. J. Chem. Kinet. , vol.10 , pp. 1
- Brown, R.D.¹ Smith, I.W.M.²

15
- 0001226832
- A. Persky, M. Broida, J. Chem. Phys. 81 (1984) 4352.
- (1984) J. Chem. Phys. , vol.81 , pp. 4352
- Persky, A.¹ Broida, M.²

16
- 84990671388
- H. Koizumi, G.C. Schatz, Int. J. Quant. Chem. 23 (1989) 137.
- (1989) Int. J. Quant. Chem. , vol.23 , pp. 137
- Koizumi, H.¹ Schatz, G.C.²

17
- 0010916617
- J.M. Bowman, M.A. Ratner (Eds.), JAI, Green witch, CT
- H. Koizumi, G.C. Schatz, in: J.M. Bowman, M.A. Ratner (Eds.), Advances in Molecular Vibration and Collision Dynamics, JAI, Green witch, CT, 1990.
- (1990) Advances in Molecular Vibration and Collision Dynamics
- Koizumi, H.¹ Schatz, G.C.²

18
- 0000740954
- S.C. Park, H. Nakamura, A. Ohsaki, J. Chem. Phys. 92 (1990) 6538.
- (1990) J. Chem. Phys. , vol.92 , pp. 6538
- Park, S.C.¹ Nakamura, H.² Ohsaki, A.³

19
- 0001341249
- M.S. Gordon, K.K. Baldridge, D.E. Bernholdt, R.J. Bartlett, Chem. Phys. Lett. 158 (1989) 189.
- (1989) Chem. Phys. Lett. , vol.158 , pp. 189
- Gordon, M.S.¹ Baldridge, K.K.² Bernholdt, D.E.³ Bartlett, R.J.⁴

20
- 36449001570
- H. Koizumi, G.C. Schatz, M.S. Gordon, J. Chem. Phys. 95 (1991) 6421.
- (1991) J. Chem. Phys. , vol.95 , pp. 6421
- Koizumi, H.¹ Schatz, G.C.² Gordon, M.S.³

21
- 0000894935
- K. Moribayashi, H. Nakamura, J. Phys. Chem. 99 (1995) 15410.
- (1995) J. Phys. Chem. , vol.99 , pp. 15410
- Moribayashi, K.¹ Nakamura, H.²

22
- 5544224506
- W.H. Thompson, W.H. Miller, J. Chem. Phys. 106 (1997) 142.
- (1997) J. Chem. Phys. , vol.106 , pp. 142
- Thompson, W.H.¹ Miller, W.H.²

23
- 33748601238
- K. Nobusada, K. Moribayashi, H. Nakamura, J. Chem. Soc. Faraday Trans. 93 (1997) 721.
- (1997) J. Chem. Soc. Faraday Trans. , vol.93 , pp. 721
- Nobusada, K.¹ Moribayashi, K.² Nakamura, H.³

24
- 0031591333
- B. Ramachandran, J. Senekowitsch, R.E. Wyatt, Chem. Phys. Lett. 270 (1997) 387.
- (1997) Chem. Phys. Lett. , vol.270 , pp. 387
- Ramachandran, B.¹ Senekowitsch, J.² Wyatt, R.E.³

25
- 84987142859
- S.R. Langhoff, E.R. Davidson, Int. J. Quant. Chem. 8 (1974) 61.
- (1974) Int. J. Quant. Chem. , vol.8 , pp. 61
- Langhoff, S.R.¹ Davidson, E.R.²

26
- 33645921572
- F.B. Brown, D.G. Truhlar, Chem. Phys. Lett. 117 (1985) 307.
- (1985) Chem. Phys. Lett. , vol.117 , pp. 307
- Brown, F.B.¹ Truhlar, D.G.²

27
- 0001460298
- R.J. Rakestraw, K.G. McKendrick, R.N. Zare, J. Chem. Phys. 87 (1987) 7341.
- (1987) J. Chem. Phys. , vol.87 , pp. 7341
- Rakestraw, R.J.¹ McKendrick, K.G.² Zare, R.N.³

28
- 36449009146
- R. Zhang, W.J. van der Zande, M.J. Bronikowski, R.N. Zare, J. Chem. Phys. 94 (1991) 2704.
- (1991) J. Chem. Phys. , vol.94 , pp. 2704
- Zhang, R.¹ Van Der Zande, W.J.² Bronikowski, M.J.³ Zare, R.N.⁴

29
- 25944463795
- submitted
- B. Ramachandran, J. Senekowitsch, R.E. Wyatt, Chem. Phys. Lett., submitted.
- Chem. Phys. Lett.
- Ramachandran, B.¹ Senekowitsch, J.² Wyatt, R.E.³

30
- 36749113886
- A.D. Issacson, D.G. Truhlar, J. Chem. Phys. 76 (1982) 1380.
- (1982) J. Chem. Phys. , vol.76 , pp. 1380
- Issacson, A.D.¹ Truhlar, D.G.²

31
- 0002000203
- M. Baer (Ed.), CRC Press, Boca Raton, FL
- D.G. Truhlar, A.D. Issacson, B.C. Garrett, in: M. Baer (Ed.), Theory of Chemical Reaction Dynamics, CRC Press, Boca Raton, FL, 1985, p. 65.
- (1985) Theory of Chemical Reaction Dynamics , pp. 65
- Truhlar, D.G.¹ Issacson, A.D.² Garrett, B.C.³

32
- 1542315809
- B.C. Garrett, D.G. Truhlar, J. Phys. Chem. 83 (1979) 1052, 1079.
- (1979) J. Phys. Chem. , vol.83 , pp. 1052
- Garrett, B.C.¹ Truhlar, D.G.²

33
- 0001432896
- J. Bertrán, I.G. Csizmadia (Eds.), NATO ASI Series C, Kluwer, Dordrecht, The Netherlands
- S.C. Tucker, D.G. Truhlar, in: J. Bertrán, I.G. Csizmadia (Eds.), New Theoretical Concepts for Understanding Organic Reactions, NATO ASI Series C, Vol. 267, Kluwer, Dordrecht, The Netherlands, 1989, p. 291.
- (1989) New Theoretical Concepts for Understanding Organic Reactions , vol.267 , pp. 291
- Tucker, S.C.¹ Truhlar, D.G.²

34
- 0000674373
- B.C. Garrett, D.G. Truhlar, R.S. Grev, A.W. Magnuson, J. Phys. Chem. 84 (1980) 1730.
- (1980) J. Phys. Chem. , vol.84 , pp. 1730
- Garrett, B.C.¹ Truhlar, D.G.² Grev, R.S.³ Magnuson, A.W.⁴

35
- 33845550686
- B.C. Garrett, D.G. Truhlar, R.S. Grev, A.W. Magnuson, J. Phys. Chem. 87 (1983) 4554(E).
- (1983) J. Phys. Chem. , vol.87
- Garrett, B.C.¹ Truhlar, D.G.² Grev, R.S.³ Magnuson, A.W.⁴

36
- 0001049015
- Y.-P. Liu, D.-h. Lu, A. Gonzàlez-Lafont, D.G. Truhlar, B.C. Garrett, J. Am. Chem. Soc. 115 (1993) 7806.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 7806
- Liu, Y.-P.¹ Lu, D.-H.² Gonzàlez-Lafont, A.³ Truhlar, D.G.⁴ Garrett, B.C.⁵

37
- 0026914573
- D.-h. Lu, T.N. Truong, V.S. Melissas, G.G. Lynch, Y.-P. Liu, B.C. Garrett, R. Sleekler, A.D. Issacson, S.N. Rai, G.C. Hancock, J.G. Lauderdale, T. Joseph, D.G. Truhlar, Comp. Phys. Comm. 71 (1992) 235.
- (1992) Comp. Phys. Comm. , vol.71 , pp. 235
- Lu, D.-H.¹ Truong, T.N.² Melissas, V.S.³ Lynch, G.G.⁴ Liu, Y.-P.⁵ Garrett, B.C.⁶ Sleekler, R.⁷ Issacson, A.D.⁸ Rai, S.N.⁹ Hancock, G.C.¹⁰ Lauderdale, J.G.¹¹ Joseph, T.¹² Truhlar, D.G.¹³

38
- 79954585410
- Y.-P. Liu, G.C. Lynch, T.N. Truong, D.-h. Lu, D.G. Truhlar, J. Am. Chem. Soc. 115 (1993) 2408.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 2408
- Liu, Y.-P.¹ Lynch, G.C.² Truong, T.N.³ Lu, D.-H.⁴ Truhlar, D.G.⁵

39
- 0027577788
- T.N. Truong, D.-h. Lu, G.C. Lynch, Y.-P. Liu, V.S. Melissas, J.J.P. Stewart, R. Steekler, B.C. Garrett, A.D. Issacson, A. Gonzàlez-Lafont, S.N. Rai, G.C. Hancock, T. Joseph, D.G. Truhlar, Comp. Phys. Comm. 75 (1993) 143.
- (1993) Comp. Phys. Comm. , vol.75 , pp. 143
- Truong, T.N.¹ Lu, D.-H.² Lynch, G.C.³ Liu, Y.-P.⁴ Melissas, V.S.⁵ Stewart, J.J.P.⁶ Steekler, R.⁷ Garrett, B.C.⁸ Issacson, A.D.⁹ Gonzàlez-Lafont, A.¹⁰ Rai, S.N.¹¹ Hancock, G.C.¹² Joseph, T.¹³ Truhlar, D.G.¹⁴

40
- 0030218764
- D.G. Truhlar, B.C. Garrett, S.J. Klippenstein, J. Phys. Chem. 100 (1996) 12771.
- (1996) J. Phys. Chem. , vol.100 , pp. 12771
- Truhlar, D.G.¹ Garrett, B.C.² Klippenstein, S.J.³

41
- 0004000702
- University of Minnesota, Minneapolis, The latest version of POLYRATE may be obtained at
- R. Steekler, Y.-Y. Chuang, P.L. Fast, E.L. Coitiño, J.C. Corchado, W.-P. Hu, Y.-P. Liu, G.C. Lynch, K.A. Nguyen, C.F. Jackels, M.Z. Gu, I. Rossi, S. Clayton, V.S. Melissas, B.C. Garrett, A.D. Issacson, D.G. Truhlar, POLYRATE, version 7.3.1, University of Minnesota, Minneapolis, 1997. The latest version of POLYRATE may be obtained at http://comp.chem.umn.edu/polyrate.
- (1997) POLYRATE, Version 7.3.1
- Steekler, R.¹ Chuang, Y.-Y.² Fast, P.L.³ Coitiño, E.L.⁴ Corchado, J.C.⁵ Hu, W.-P.⁶ Liu, Y.-P.⁷ Lynch, G.C.⁸ Nguyen, K.A.⁹ Jackels, C.F.¹⁰ Gu, M.Z.¹¹ Rossi, I.¹² Clayton, S.¹³ Melissas, V.S.¹⁴ Garrett, B.C.¹⁵ Issacson, A.D.¹⁶ Truhlar, D.G.¹⁷

42
- 36449008542
- C.F. Jackels, Z. Gu, D.G. Truhlar, J. Chem. Phys. 102 (1995) 3188.
- (1995) J. Chem. Phys. , vol.102 , pp. 3188
- Jackels, C.F.¹ Gu, Z.² Truhlar, D.G.³

43
- 0003854825
- D.L. Thompson (Ed.), World Scientific, Singapore, in press
- T.C. Allison, D.G. Truhlar, in: D.L. Thompson (Ed.), Modern Methods for Multidimensional Dynamics Computations in Chemistry, World Scientific, Singapore, in press.
- Modern Methods for Multidimensional Dynamics Computations in Chemistry
- Allison, T.C.¹ Truhlar, D.G.²

44
- 0345817131
- unpublished calculations
- J. Senekowitsch, unpublished calculations.
- Senekowitsch, J.¹

45
- 5544224506
- W.H. Thompson, W.H. Miller, J. Chem. Phys. 107 (1997) 2164.
- (1997) J. Chem. Phys. , vol.107 , pp. 2164
- Thompson, W.H.¹ Miller, W.H.²

46
- 0032045891
- B. Poirier, J. Chem. Phys. 108 (1998) 5216.
- (1998) J. Chem. Phys. , vol.108 , pp. 5216
- Poirier, B.¹

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