Application of Gaussian-2 theory for the energetics of XO/XO+ /XO and XOH/XOH+ (X = F, Cl, Br, I)

Molecular Physics

Volumn 91, Issue 3, 1997, Pages 495-502

  Ma, N L ^a   Cheung, Y ^a   Ng, C Y ^a   Li, W ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0003595789     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797171382     Document Type: Article

References (36)

1. Rowland, F. S., and Molina, M. J., 1975. Rev. Geophys. Space Phys., 13:1
2. Yung, Y. L., Pinto, J. P., Watson, R. T., and Sander, S. P., 1980. J. atmos. Sci., 37:339
3. Davis, D., Crawford, J., Liu, S., McKeen, S., Bandy, A., Thornton, D., Rowland, F., and Blake, D., 1996. J. geophys. Res., 101:2135
4. Davis, D. D., Crawford, J., Chen, G., Chameides, W., Liu, S., Bradshaw, J., Sandholm, S., Sachse, G., Gregory, G., Anderson, B., Barrick, J., Bachmeier, A., Collins, J., Browell, E., Blake, D., Rowland, S., Kondo, Y., Singh, H., Talbot, R., Heikes, B., Merrill, J., Rodriguez, J., and Newell, R. E., 1996. J. geophys. Res., 101:2111
5. Zhang, Z., Monks, P. S., Stief, L. J., Liebman, J. F., Huie, R. E., Kuo, S.-C., and Klemm, R. B., 1995. J. phys. Chem., 100:63
6. Curtiss, L. A., Raghavachari, K., Trucks, G. W., and Pople, J. A., 1991. J. chem. Phys., 94:7221
7. Pople, J. A., Head-Gordon, M., Fox, D. J., Raghavachari, K., and Curtiss, L. A., 1989. J. chem. Phys., 90:5622
8. Glukhovtsev, M. N., Pross, A., McGrath, M. P., and Radom, L., 1995. J. chem. Phys., 103:1878
9. Glukhovtsev, M. N., Pross, A., McGrath, M. P., and Radom, L., 1996. J. chem. Phys., 104:3407
10. Cheung, Y.-S., Chen, Y.-J., Ng, C. Y., Chiu, S.-W., and Li, W.-K., 1995. J. Amer. chem. Soc., 117:9725
11. Curtiss, L. A., McGrath, M. P., Blaudeau, J.‐P., Davis, N. E., Binning, R. C., Jr. and Radom, L., 1995. J. chem. Phys., 103:6104
12. Ma, Z.-X., Liao, C.-L., Ng, C. Y., Ma, N. L., and Li, W.-K., 1993. J. chem. phys., 99:6470
13. Curtiss, L. A., Raghavachari, K., and Pople, J. A., 1993. J. chem. Phys., 98:1293
14. McGrath, M. P., and Radom, L., 1991. J. chem. Phys., 94:511
15. Koseki, S., Gordon, M. S., Schmidt, M. W., and Matsunaga, N., 1995. J. phys. Chem., 99:12764
16. Koseki, S., Schmidt, M. W., and Gordon, M. S., 1992. J. phys. Chem., 96:10768
17. Binning, J. R. C., and Curtiss, L. A., 1990. J. comput. Chem., 11:1206
18. Andzelm, J., Klobukowski, M., and Radzio-Andzelm, E., 1984. J. comput. Chem., 5:146
19. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T., Petersson, G. A., Montgomery, J. A., Raghavachari, K., Al-Laham, M. A., Zakrzewski, V. G., Ortiz, J. V., Foresman, J. B., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Andres, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Binkley, J. S., Defrees, D. J., Baker, J., Stewart, J. P., Head-Gordon, M., Gonzalez, C., and Pople, J. A., 1995. Gaussian 94, Revision B.3, Pittsburgh:Gaussian Inc.
20. Schmidt, M. W., Baldridge, K. K., Boatz, J. A., Elbert, S. T., Gordon, M. S., Jensen, J. H., Koseki, S., Matsunaga, N., Nguyen, K. A., Su, S. J., Windus, T. L., Dupuis, M., and Montgomery, J. A., 1993. J. comput. Chem., 14:1347
21. Stevens, W. J., Krauss, M., Basch, H., and Jasien, P. G., 1992. Can. J. Chem., 70:612
22. Gilles, M. K., Polak, M. L., and Lineberger, W. C., 1992. J. chem. Phys., 96:8012
23. Ruscic, B., and Berkowitz, J., 1994. J. chem. Phys., 101:7795
24. Del Bene, J. E., Mettee, H. D., Frisch, M. J., Luke, B. T., and Pople, J. A., 1983. J. phys. Chem., 87:3279
25. Gilles, M. K., Polak, M. L., and Lineberger, W. C., 1991. J. chem. Phys., 95:4723
26. Lias, S. G., Bartmess, J. E., Liebman, J. F., Holmes, J. L., Levin, R. D., and Mallard, W. G., 1988. J. phys. Chem. Ref. Data, 17 Suppl. 1
27. Nicolaides, A., and Radom, L., 1994. J. phys. Chem., 98:3092
28. Wales, N. P. L., Buma, W. J., and de Lange, C. A., 1996. Chem. Phys. Lett., 259:213
29. Monks, P. S., Stief, L. J., Krauss, M., Kuo, S. C., and Klemm, R. B., 1994. J. chem. Phys., 100:1902
30. Ruscic, B., and Berkowitz, J., 1994. J. chem. Phys., 101:9215
31. Lock, M., Barnes, R. J., and Sinha, A., 1996. J. phys. Chem., 100:7972
32. Refaey, K. M. A., and Franklin, J. L., 1976. J. chem. Phys., 64:4810
33. Refaey, K. M. A., and Franklin, J. L., 1976. J. chem. Phys., 65:1994
34. Vogt, D., Dreves, W., and Mischke, J., 1977. Int. J. Mass Spectrom. Ion Phys., 24:285
35. Monks, P. S., Stief, L. J., Tardy, D. C., Liebman, J. F., Zhang, Z., Kuo, S.-C., and Klemm, R. B., 1995. J. phys. Chem., 99:16566
36. Glukhovtsev, M. N., Pross, A., and Radom, L., 1996. J. Phys. Chem., 100:3498