Potential energy surface for the reactions BeH2 + H ⇆ BeH + H2

Physical Chemistry Chemical Physics

Volumn 1, Issue 6, 1999, Pages 939-945

  Collins, Michael A ^a   Bettens, Ryan P A ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; HYDROGEN;

ACCURACY; ARTICLE; CHEMICAL REACTION; CONFORMATION; ENERGY; ION EXCHANGE; REACTION ANALYSIS; THEORY;

EID: 0033559836     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a808154i     Document Type: Article

References (38)

1. 1 D. H. Zhang and J. C. Light, J. Chem. Phys., 1996, 105, 1291.
2. 2 W. Zhu, J. Dai, J. H. Zhang and D. H. Zhang, J. Chem. Phys., 1996, 105, 4881.
3. 3 U. Manthe, T. Seideman and W. H. Miller, J. Chem. Phys., 1993, 99, 10078.
4. 4 U. Manthe, T. Seideman and W. H. Miller, J. Chem. Phys., 1994, 101, 4759.
5. 5 W. H. Miller, J. Chem. Soc., Faraday Trans., 1997, 93, 685.
6. 6 G. C. Schatz and H. Elgersma, Chem. Phys. Lett., 1980, 73, 21.
7. 7 S. P. Walch and T. H. J. Dunning, J. Chem. Phys., 1980, 72, 1303.
8. 8 D. C. Clary, J. Chem, Phys., 1991, 95, 7298.
9. 9 D. C. Clary, Chem. Phys. Lett., 1992, 192, 34.
10. 10 D. C. Clary, J. Chem. Phys., 1992, 96, 3656.
11. 11 J. Echave and D. C. Clary, J. Chem. Phys., 1994, 100, 402.
12. 12 J. M. Bowman and G. C. Schatz, Annu. Rev. Phys. Chem., 1995, 46, 169.
13. 13 D. C. Clary, J. Phys. Chem., 1994, 98, 10678.
14. 14 J. M. L. Martin, Chem. Phys. Lett., 1997, 273, 98.
15. 15 I. W. M. Smith and R. Zellner, J. Chem. Soc., Faraday Trans. 2, 1974, 70, 1045.
16. 16 R. Atkinson, D. A. Hansen and J. N. J. Pitts, J. Chem. Phys., 1975, 63, 1703.
17. 17 A. R. Ravishankara, J. M. Nicovich and F. P. Tully, J. Phys. Chem., 1981, 85, 2498.
18. 18 P. J. Bruna, G. A. D. Labio and J. S. Wright, J. Phys. Chem., 1992, 96, 6269.
19. 19 M. W. Chase Jr., C. A. Davies, J. R. Downey Jr., D. J. Frurip, R. A. McDonald and A. N. Syverud, J. Phys. Chem. Ref. Data, Suppl. 1, 1985, 14, 383.
20. 20 T. J. Tague and L. Andrews, J. Am. Chem. Soc., 1993, 115, 12111.
21. 21 J. Ischtwan and M. A. Collins, J. Chem. Phys., 1994, 100, 8080.
22. 22 M. J. T. Jordan, K. C. Thompson and M. A. Collins, J. Chem. Phys., 1995, 102, 5647.
23. 23 M. J. T. Jordan, K. C. Thompson and M. A. Collins, J. Chem. Phys., 1995, 103, 9669.
24. 24 M. J. T. Jordan and M. A. Collins, J. Chem. Phys., 1996, 104, 4600.
25. 25 K. C. Thompson and M. A. Collins, J. Chem. Soc., Faraday Trans., 1997, 93, 871.
26. 26 R. Farwig, in Algorithms For Approximation, ed. J. C. Mason and M. G. Cox, Clarendon Press, Oxford, 1987, p. 194.
27. 27 P. Lancaster and K. Salkauskas, Curve and Surface Fitting, An Introduction, Academic Press, London, 1986, ch. 10.
28. 28 M. A. Collins and K. C. Thompson, in Chemical Group Theory: Techniques and Applications, ed. D. Bonchev and D. H. Rouvray, Gordon and Breach, Reading, 1995, p. 191.
29. 29 R. P. A. Bettens and M. A. Collins, J. Chem. Phys., 1998, 108, 2424.
30. 30 K. C. Thompson, M. J. T. Jordan and M. A. Collins, J. Chem. Phys., 1998, 108, 8302.
31. 31 H. Le and D. Kendall, Ann. of Stat., 1993, 21, 1225.
32. 32 A. I. Boldyrev and J. Simons, J. Chem. Phys., 1993, 99, 4628.
33. 33 M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids, Clarendon Press, Oxford, 1987, p. 146.
34. 34 H. W. Schranz, S. Nordholm and G. Nyman, J. Chem. Phys., 1991, 94, 1487.
35. 35 D. H. Zhang, private communication.
36. 36 S. K. Pogrebnya, J. Echave and D. C. Clary, J. Chem. Phys., 1997, 107, 8975.
37. 37 A. Ben-Israel and T. N. Greville, Generalised Inverses: Theory and Applications, Wiley-Interscience, New York, 1974.
38. 38 W. H. Press, S. A. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in Fortran: the Art of Scientific Computing, Cambridge University Press, Cambridge, 1992.