A theoretical study of the electronic spectrum of s-tetrazine

Molecular Physics

Volumn 96, Issue 4, 1999, Pages 603-615

  Rubio, Mercedes ^a   Roos, Bjorn O ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000926726     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909482997     Document Type: Article

References (38)

1. Innes, K. K., Roos, I. G., and Moomaw, W. R., 1988. J. molec. Spectrosc., 132:492
2. Mason, S. F., 1959. J. chem. Soc.
3. Mason, S. F., 1959. J. chem. Soc.
4. Spencer, G. H., Cross, P. C., and Wiberg, H. B., 1961. J. chem. Phys., 35
5. Chowdhury, M., and Goodman, L., 1963. J. chem. Phys., 38:2979
6. Schutz, M., Hutter, J., and Luthi, H. P., 1995. J. chem. Phys., 103:7048
7. Stanton, J. F., and Gauss, J., 1996. J. chem. Phys., 104:9859
8. Fridh, C., Åsbrink, L., Jonsson, B. O., and Lindholm, E., 1972. Intl. J. Mass Spectrom. Ion Phys., 9:485
9. Innes, K. K., 1988. J. molec. Spectrosc., 129:140
10. Palmer, M. H., McNab, H., Reed, D., Pollacchi, A., Walker, I. C., Guest, M. F., and Siggel, M. R. F., 1997. Chem. Phys., 214:191
11. Mataga, N., 1958. Bull. Chem. Soc. Jap., 31:453
12. Gropen, O., and Skancke, P. N., 1970. Acta Chem. Scand., 24:1768
13. Sundbom, M., 1971. Acta Chem. Scand., 25:487
14. Prasad, R. S., and Rai, B. N., 1990. Theoret. Chim. Acta, 77:343
15. Waluk, J., Spanget-Larsen, J., and Thulstrup, E. W., 1995. Chem. Phys., 200:201
16. Ha, T., 1975. Molec. Phys., 29:1829
17. Scheiner, A. C., and Schaefer, H. F., III. 1987. J. chem. Phys., 87:3539
18. Knuts, S., Vahtras, O., and Agren, H., 1993. J. molec. Struct. Theochem, 279:249
19. Rittby, C. M. L., and Bartlett, R. J., 1991. Theoret. Chim. Acta, 80:469
20. Del Bene, J.E., Watts, J. D., and Bartlett, R. J., 1997. J. chem. Phys., 106:6051
21. Nooijen, M., and Bartlett, R. J., 1997. J. chem. Phys., 107:6812
22. Andersson, K., Malmqvist, P.-Å., Roos, B. O., Sadlej, A. J., and Wolinski, K., 1990. J. phys. Chem., 94:5483
23. Andersson, K., Malmqvist, P.-Å., and Roos, B. O., 1992. J. chem. Phys., 96:1218
24. Roos, B. O., Andersson, K., and Fulscher, M. P., 1992. Chem. Phys. Lett., 192:5
25. Lorentzon, J., Malmqvist, P.-Å., Fulscher, M. P., and Roos, B. O., 1995. Theoret. Chim. Acta, 91:91
26. Fulscher, M. P., Andersson, K., and Roos, B. O., 1992. J. phys. Chem., 96:9204
27. Fulscher, M. P., and Roos, B. O., 1994. Theoret. Chim. Acta, 87:403
28. Widmark, P. -O., Malmqvist, P.-Å., and Roos, B. O., 1990. Theoret. Chim. Acta, 77:291
29. Roos, B. O., Fulscher, M. P., Malmqvist, P.-Å., Merchan, M., and Serrano-Andres, L., 1995. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, 357Dordrecht:Kluwer.
30. Roos, B. O., and Andersson, K., 1995. Chem. Phys. Lett., 245:215
31. Roos, B. O., Andersson, K., Fulscher, M. P., Serrano-Andres, L., Pierloot, K., Merchan, M., and Molina, V., 1996. J. molec. Struct. Theochem, 388:257
32. Finley, J., Malmqvist, P.-Å., Roos, B. O., and Serrano-Andres, L., 1998. Chem. Phys. Lett., 288:299
33. Malmqvist, P. Å., and Roos, B. O., 1989. Chem. Phys. Lett., 155:189
34. Andersson, K., Blomberg, M. R. A., Fulscher, M. P., Karlstom, G., Lindh, R., Malmqvist, P.-Å., Neogrady, P., Olsen, J., Roos, B. O., Sadlej, A. J., Schutz, M., Seijo, L., Serrano-Andres, L., Siegbahn, P. E. M., and Widmark, P. -O., 1997. Molcas Version 4.0, Lund:Department of Theoretical Chemistry University of Lund.
35. Ghosh, S., and Chowdhury, M., 1982. Chem. Phys. Lett., 85:233
36. Serrano-Andres L. Merchan M. Rubio M. Roos B. O. 1998)
37. Matos, J. M. O., Roos, B. O., and Malmqvist, P.-Å., 1987. J. chem. Phys., 86:1458
38. Livak, D. T., and Innes, K. K., 1971. J. molec. Spectrosc., 39:115