Accurate calculations of cross sections and rate coefficients of some atom-diatom reactions relevant to plasma chemistry

Plasma Sources Science and Technology

Volumn 6, Issue 3, 1997, Pages 270-279

  Lagana A ^a   Crocchianti, S ^a   Ochoa De Aspuru, G ^a   Riganelli, A ^a   Garcia E ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; REACTION KINETICS;

ATOM DIATOM REACTIONS; PLASMA CHEMISTRY; REACTION CROSS SECTIONS; REACTION RATE COEFFICIENTS;

PLASMA COLLISION PROCESSES;

EID: 0031212207     PISSN: 09630252     EISSN: None     Source Type: Journal    
DOI: 10.1088/0963-0252/6/3/004     Document Type: Article

References (87)

1. Capitelli M (ed) 1986 Non Equilibrium Vibrational Kinetics (Berlin: Springer)
2. Capitelli M and Bardsley T (eds) 1990 Non Equilibrium Processes in Partially Ionized Gases (New York: Plenum)
3. Capitelli M (ed) 1995 Molecular Physics and Hypersonic Flows (Deventer: Kluwer) p 35
4. Kistiakowsky G B and Volpi G G 1957 J. Chem. Phys. 27 1141
5. Clyne M A A and Thrush B A 1961 Proc. R. Soc. A 261 259
6. Kretschmer C B and Petersen H L 1963 J. Chem. Phys. 39 1772
7. Wilson W E 1967 J. Chem. Phys. 46 2017
8. Clark D and Wayne R P 1970 Proc. R. Soc. A 316 539
9. Barnett A J, Marston G and Wayne R P 1987 J. Chem. Soc. Faraday Trans. II 83 1453
10. Baulch D L, Drysdale D D and Hayne D G 1973 Evaluated Kinetic Data for High Temperature Reactions vol 2 (London: Butterworths)
11. Basevich Yu V 1987 Prog. Energy Combust. Sci. 13 199
12. WMO/UNEP 1992 Scientific assessment of ozone depletion 1991 WMO/UNEP Report
13. Thompson J E and Ravinshankara A R 1993 Int. J. Chem. Kinet. 25 479
14. Zurer P S 1993 Chem. Eng. News 15 12
15. Bacal M and Hamilton G W 1979 Phys. Rev. Lett. 42 1538
16. Schultz G J 1973 Rev. Mod. Chem. Phys. 45 423
17. Allan M and Wong S F 1979 Phys. Rev. Lett. 41 1791
18. Wadehra J M and Bardsley J N 1978 Phys. Rev. Lett. 41 1795
19. Gorse C and Capitelli M 1987 J. Appl. Phys. 60 4072
20. Gorse C, Cacciatore M, Capitelli M, De Benedictis S and Dilecce G 1988 Chem. Phys. 119 63
21. Capitelli M, Celiberto R and Cacciatore M 1994 Adv. At. Mol. Opt. Phys. 33 321
22. García E and Laganà A 1997 Rate coefficients under jet conditions
23. Murrell J N, Carter S, Farantos S C, Huxley P and Varandas A J C 1984 Molecular Potential Energy Surface (London: Wiley)
24. García E and Laganà A 1986 Mol. Phys. 56 621
25. Laganà A and García E 1986 Mol. Phys. 56 629
26. Dini M 1986 Proprietà delle superfici di energia potenziale e reattività chimica dei sistemi M + HX(M = IA, IIA e X = VIIA) Tesi di Laurea Perugia (I)
27. Laganà A, Dini M, García E, Alvariño J M and Paniagua M 1991 J. Phys. Chem. 95 8389
28. Laganà A 1991 J. Chem. Phys. 95 2216
29. Laganà A, Ferraro G, García E, Gervasi O and Ottavi A 1992 Chem. Phys. 168 341
30. García E and Laganà A 1995 J. Chem. Phys. 103 5410
31. Pack R T and Parker G A 1987 J. Chem. Phys. 87 3888
32. Jellinek J and Kouri D J 1985 Theory of Chemical Reaction Dynamics vol 2, ed M Baer (Boca Raton, FL: Chemical Rubber Company) p 1
33. Laganà A, García E and Gervasi O 1988 J. Chem. Phys. 89 7238
34. Laganà A, Gervasi O, Baraglia R, Laforenza D and Perego R 1992 Theor. Chim. Acta 84 413
35. Laganà A, Gervasi O, Baraglia R and Laforenza D 1994 Int. J. Quantum Chem.: Quantum Chem. Symp. 28 85
36. Baraglia R, Laforenza D and Laganà A 1995 Lecture Notes in Computer Science 919 554
37. Laganà A, Crocchianti S, Ochoa de Aspuru G, Gargano R and Parker G A 1995 Lecture Notes in Computer Science 1041 361
38. Armenise I, Capitelli M, García E, Gorse C, Laganà A and Longo S 1992 Chem. Phys. Lett. 200 597
39. Truhlar D G, Steckler R and Gordon M S 1987 Chem. Rev. 87 217
40. Connor J N L 1979 Comp. Phys. Commun. 17 117
41. Varandas A J C 1988 Adv. Chem. Phys. 74 255
42. Garrett B C, Truhlar D G and Grev R S 1981 Potential Energy Surfaces and Dynamical Calculations (New York: Plenum) p 587
43. Truhlar D G, Steckler R and Gordon M S 1987 Chem. Rev. 87 217
44. Sathyamurthy N 1985 Comp. Phys. Rep. 3 1
45. Schatz G C 1989 Rev. Mod. Phys. 61 669
46. Garrett B C and Truhlar D G 1979 J. Am. Chem. Soc. 101 4534
47. Neuhauser D, Judson R S, Baer M and Kouri D J 1994 Advances in Molecular Vibrations and Collision Dynamics 2b 27
48. Balint-Kurti G G, Mort S P, Cogtas F, Laganà A and Gervasi O 1993 J. Chem. Phys. 99 9567
49. Lester W A 1976 Dynamics of Molecular Collisions part A, ed W H Miller (New York: Plenum) p 1
50. Cooley J W 1961 Math. Comp. 15 363
51. Light J C 1986 The Theory of Chemical Reaction Dynamics ed D C Clary (Dordrecht: Reidel) p 215
52. Ross J, Light J C and Schuler K E 1969 Kinetic Processes in Gases and Plasmas ed A R Hochstim (New York: Academic) p 281
53. Pack R T and Parker G A 1989 J. Chem. Phys. 90 3511
54. Parker G A, Pack R T, Laganà A, Archer B J, Kress J D and Bačic Z 1989 Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ed A Laganà (Dordrecht: Kluwer) p 105
55. Truhlar D G and Muckerman J T 1979 Atom Molecule Collision Theory ed R B Bernstein (New York: Plenum) p 505
56. Porter R N and Raff L M 1976 Dynamics of Molecular Collisions part B, ed W H Miller (New York: Plenum) p 1
57. Karplus M, Porter R N and Sharma R D 1965 J. Chem. Phys. 43 3259
58. Laganà A, García E and Ciccarelli L 1987 J. Phys. Chem. 91 312
59. García E and Laganà A 1994 J. Phys. Chem. 98 502
60. Petrongolo C 1988 J. Mol. Struct. 175 215
61. Petrongolo C 1989 J. Mol. Struct. (Theochem.) 202 135
62. Huber K P and Herzberg G 1979 Molecular Spectra and Molecular Structure. IV Constants of Diatomic Molecules (Amsterdam: Van Nostrand)
63. Laganà A, Ochoa de Aspuru G and García E 1994 AIAA Technical Report 94-1986
64. Back R A and Mui J Y P 1962 J. Phys. Chem. 66 1362
65. Bar-Nun A and Lifshitz A 1967 J. Chem. Phys. 47 2878
66. Laganà A, Ochoa de Aspuru G and García E 1996 Università di Perugia, Centro Stampa. Copies of the rate coefficient tables are available from the authors
67. Suzzi Valli G, Orrù R, Clementi E, Laganà A and Crocchianti S 1995 J. Chem. Phys. 102 2825
68. Lu D-h et al 1992 Comput. Phys. Commun. 71 235
69. Truhlar D G, Isaacson A D and Garrett B C 1985 The Theory of Chemical Reaction Dynamics vol 4, ed M Baer (Boca Raton, FL: Chemical Rubber Company)
70. Truhlar D G, Brown F B, Steckler R and Isaacson A D 1986 Theory of Chemical Reaction Dynamics ed D C Clary (Dordrecht: Reidel)
71. Basevich Yu V 1987 Prog. Energy Combust. Sci. 13 199
72. Miller J A and Bowman C T 1989 Prog. Energy Combust. Sci. 15 287
73. Jaffe R L, Pattengill M D and Schwenke D W 1989 Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ed A Laganà (Dordrecht: Kluwer) p 367
74. 4 Universitat de Barcelona, Barcelona
75. Hanson R K and Salimiam S 1984 Combustion Chemistry ed W C Gardinier (New York: Springer)
76. Slanger T G, Black G and Gadd G E 1988 Science 241 945
77. Toumi R 1992 J. Atmos. Chem. 15 69
78. Rogaski C A, Price J M, Mack J A and Wodtke A M 1993 Geophys. Res. Lett. 20 2885
79. Varandas A J C and Pais A A C C 1988 Chem. Phys. 65 843
80. Andersen S M, Klein F S and Kauffman F 1985 J. Chem. Phys. 83 1648
81. Balucani N, Beneventi L, Casavecchia P and Volpi G G 1991 Chem. Phys. Lett. 180 34
82. Matsuni Y, Tarokura K, Kawasaki M, Tsuji K and Obi K 1993 J. Chem. Phys. 98 8330
83. Schinke R 1984 J. Chem. Phys. 80 5510
84. Alvariño J M and Laganà A 1992 J. Phys. Chem. 96 3587
85. Luntz A C 1980 J. Chem. Phys. 73 5393
86. Kruus E J, Niefer B I and Sloan J J 1988 J. Chem. Phys. 88 985
87. Park C R and Wiesenfeld J R 1989 Chem. Phys. Lett. 163 230