Structural and relative stability studies of (IClO3) and (IBrO3) polyoxides

Molecular Physics

Volumn 102, Issue 8, 2004, Pages 789-795

  Papayannis, Demetrios K ^a   Kosmas, Agnie M ^a  

^a UNIVERSITY OF IOANNINA   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVE-CORE-POTENTIAL (ECP) TECHNIQUES; POLYOXIDES; SILICON GRAPHICS;

BROMINE COMPOUNDS; COORDINATION REACTIONS; GRAPHIC METHODS; HARMONIC ANALYSIS; NATURAL FREQUENCIES; OPTIMIZATION; PEROXIDES; PERTURBATION TECHNIQUES; STRUCTURAL ANALYSIS;

IODINE COMPOUNDS;

EID: 4444264299     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001723019     Document Type: Article

References (40)

1. SOLOMON, S., GARCIA, R. R., ROWLAND, F. S., and WUEBBLES, D. J., 1986, Nature, 321, 755.
2. MOLINA, L. T., and MOLINA, M. J., 1987, J. phys. Chem., 91, 433.
3. SANDER, S. P., FRIEDL, R. R., and YUNG, Y. L., 1989, Science, 245, 1095.
4. ANDERSON, J. G., BRUNE, W. H., LLOYD, S. A., TOOHEY, D. W., SANDER, S. P., STARR, W. L., LOEWENSTEIN, M., and PODOLSKE, J. R., 1989, J. geophys. Res., 94, 11480.
5. HAYMAN, G. D., and Cox, R., 1989, Chem. Phys. Lett., 155, 1.
6. COLUSSI, A. J., REDMOND, R. W., and SCAIANO, J. C., 1989, J. phys. Chem., 93, 4783.
7. BURKHOLDER, J. B., MAULDIN III, R. L., YOKELSON, R. J., SOLOMON, S., and RAVISHANKARA, A. R., 1993, J. phys. Chem., 97, 7597.
8. ZABEL, F., 1991, Ber. Bunsen-Ges. phys. Chem., 95, 893.
9. SEPPELT, K., 1997, Acc. chem. Res., 30, 111.
10. FRIEDL, R. R., BIRK, M., OH, J. J., and COHEN, E. A., 1995, J. molec. Spectrosc., 170, 383.
11. KUSCHEL, R., and SEPPELT, K., 1993, Angew. Chem., 32, 1632.
12. FLESCH, R., WASSERMANN, B., ROTHMUND, B., and RUHL, E., 1994, J. phys. Chem., 98, 1994.
13. CLARK, J., and FRANCISCO, J. S., 1997, J. phys. Chem. A, 101, 7145.
14. FRANCISCO, J. S., and CLARK, J., 1998, J. phys. Chem. A, 102, 2209.
15. GUHA, S., and FRANCISCO, J. S., 1998, J. phys. Chem. A, 102, 6702.
16. BELTRAN, A., ANDRES, J., NOURY, S., and SILVI, B., 1999, J. phys. Chem. A, 103, 3078.
17. KIM, K. H., HAN, Y.-K., and LEE, Y. S., 1999, J. molec. Struct. (Theochem), 460, 19.
18. LI, W.-K., LAU, K.-C., No, C. Y., BAUMGARTEL, H., and WEITZEL, K.-M., 2000, J. phys. Chem. A, 104, 3197.
19. SOLOMON, S., GARCIA, R. R., and RAVISHANKARA, A. R., 1994, J. geophys. Res. D, 99, 20491.
20. SOLOMON, S., BURKHOLDER, J. B., RAVISHANKARA, A. R., and GARCIA, R. R., 1994, J. geophys. Res. D, 99, 20929.
21. RUSCIC, B., and BERKOWITZ, J., 1994, J. chem. Phys., 101, 7795.
22. INGHAM, T., CAMERON, M., and CROWLEY, J. N., 2000, J. phys. Chem. A, 104, 8001.
23. GLUKHOVTSEV, M. N., PROSS, A., MCGRATH, M. P., and RADOM, L., 1995, J. chem. Phys., 103, 1878.
24. MCGRATH, M. P., and ROWLAND, F. S., 1996, J. phys. Chem., 100, 4815.
25. ALCAMÍ, M., MÓ, O., and YANEZ, M., 1999, J. phys. Chem. A, 103, 2793.
26. MISRA, A., and MARSHALL, P., 1998, J. phys. Chem. A, 102, 9056.
27. PAPAYANNIS, D. K., MELISSAS, V. S., and KOSMAS, A. M., 2001, Chem. Phys. Lett., 349, 299.
28. PAPAYANNIS, D. K., MELISSAS, V. S., and KOSMAS, A. M., 2002, Chem. Phys. Lett., 363, 99.
29. PAPAYANNIS, D. K., MELISSAS, V. S., and KOSMAS, A. M., 2003, J. molec. Struct. (Theochem), 626, 263.
30. MØLLER. C., and PLESSET, M. S., 1934, Phys. Rev., 46, 618.
31. HAY, P. J., and WADT, W. R., 1985, J. chem. Phys., 82, 270.
32. WADT, W. R., and HAY, P. J., 1985, J. chem. Phys., 82, 284.
33. DUNNING JR., T. H., 1989, J. chem. Phys., 90, 1007.
34. SCHWERDTFEGER, P., DOLG, M., SCHWARZ, W. H., BOWMAKER, G. A., and BOYD, P. D. W., 1989, J. chem. Phys., 91, 1762.
35. BERGNER, A., DOLG, M., KUCHLE, W., STOLL, H., and PREUSS, H., 1993, Molec. Phys., 80, 1431.
36. FRISCH, M. J., TRUCKS, G. W., SCHLEGEL, H. B., SCUSERIA, G. E., ROBB, M. A., CHEESEMAN, J. R., ZAKRZEWSKI, V. G., MONTGOMERY, J. A., STRATMANN, R. E., BURANT, J. C., DAPPRICH, S., MILLAM, J. M., DANIELS, A. D., KUDIN, K. N., STRAIN, M. C., FARKAS, O., TOMASI, J., BARONE, V., COSSI, M., CAMMI, R., MENNUCCI, B., POMELLI, C., ADAMO, C., CLIFFORD, S., OCHTERSKI, J., PETERSSON, G. A., AYALA, P. Y., CUI, Q., MOROKUMA, K., MALICK, D. K., RABUCK, A. D., RAGHAVACHARI, K., FORESMAN, J. B., CIOSLOWSKI, J., ORTIZ, J. V., STEFANOW, B. B., LIU, G., LIASHENKO, A., PISKORZ, P., KOMAROMI, I., GOMPERTS, R., MARTIN, R. L., Fox, D. J., KEITH, T., AL-LAHAM, M. A., PENG, C. Y., NANAYAKLARA, A., GONZALEZ, C., CHALLACOMBE, M., GILL, P. M. W., JOHNSON, B. G., CHEN, W., WONG, M. W., ANDRES, J. L., HEAD-GORDON, M., REPLOGLE, E. S., and POPLE, J. A., 1998, Gaussian98 (Pittsburgh, PA: Gaussian, Inc.).
37. LEE, T. J., DATEO, C. E., and RICE, J. E., 1999, Molec. Phys., 96, 633.
38. KOSMAS, A. M., 2003, Computational Methods in Sciences and Engineering, edited by T. E. Simos (New Jersey: World Scientific).
39. PAPAYANNIS, D. K., MELISSAS, V. S., and KOSMAS, A. M., 2003, PCCP, 5, 2976.
40. DROUGAS, E., and KOSMAS, A. M., 2004, Int. J. quantum Chem., 98, 335.