Theoretical study of the ground and first excited singlet state potential energy surfaces of disulphur monoxide (S2O)

Molecular Physics

Volumn 101, Issue 9, 2003, Pages 1303-1310

  Dudley, T J ^a   Hoffmann, M R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DISSOCIATION; ELECTRON ENERGY LEVELS; GROUND STATE; MOLECULAR VIBRATIONS; NUMERICAL METHODS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

DISULPHUR MONOXIDE; POTENTIAL ENERGY SURFACES; SINGLET STATE;

SULFUR COMPOUNDS;

EID: 1542287205     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000075660     Document Type: Article

References (46)

1. Na, C. Y., and Esposito, L. W., 1997. Icarus, 125:364
2. Zolotov, M. Yu., and Fegley, B., Jr. 1998. Icarus, 133:293
3. Schenk, P. W., 1933. Z. Anorg. Allg. Chem., 211:150
4. Cook, R. K., Winnewisser, G., and Lindsey, D. C., 1973. J. molec. Spectrosc., 46:276
5. Tiemann, E., Hoeft, J., Lovas, F. J., and Johnson, D. R., 1974. J. chem. Phys., 60:5000
6. Blukis, U., and Myers, R., 1965. J. phys. Chem., 69:1154
7. Lindermayer, J., Rudolph, H. D., and Jones, H., 1986. J. molec. Spectrosc., 119:56
8. Fueno, T., and Buenker, R. J., 1988. Theor. Chim. Acta, 73:123
9. Ivanic, J., Atchity, G. J., and Ruedenberg, K., 1997. J. chem. Phys., 107:4307
10. Davy, R. D., and Skoumbourdis, E., 1998. Molec. Phys., 94:539
11. Hallin, K.-E., Merer, A. J., and Milton, D. J., 1977. Can. J. Phys., 55:1858
12. Chiu, C. L., Sung, P. C., and Chen, L. D., 1982. J. molec. Spectrosc., 94:343
13. Tsukiyama, K., Kobayashi, K., Obi, K., and Tanaka, I., 1984. Chem. Phys., 84:337
14. Jones, A. V., 1950. J. chem. Phys., 18:1263
15. Lakshminarayana, G., 1975. J. molec. Spectrosc., 55:141
16. Zhang, Q., Dupré, P., Grzybowski, B., and Vaccaro, P. H., 1995. J. chem. Phys., 103:67
17. Foresman, J. B., Head-Gordon, M., Pople, J. A., and Frisch, J. A., 1992. J. phys. Chem., 96:135
18. Hund, F., 1927. Z. Phys., 40:742
19. von Neumann, J., and Wigner, E., 1929. Z. Phys., 30:467
20. Teller, E., 1937. J. phys. Chem., 41:109
21. Longuet-Higgins, H. C., 1975. Proc. R. Soc. (London), Ser. A, 344:147
22. Mead, C. A., 1979. J. chem. Phys., 70:2276
23. Mead, C. A., and Truhlar, D. G., 1979. J. chem. Phys., 70:2284
24. Lane, I. C., Howie, W. H., and Orr-Ewing, A. J., 1999. Phys. Chem. chem. Phys., 1:3087
25. Dudley, T. J., 2002. PhD thesis, University of North Dakota, Grand Forks, ND, USA
26. Malrieu, J. P., Heully, J. L., and Zaitsevskii, A., 1995. Theor. Chim. Acta, 90:167
27. Hoffmann, M. R., 1995. Modern Electronic Structure Theory Edited by:Yarkony, D. R., 116Singapore:World Scientific.
28. Andersson, K., and Roos, B. O., 1995. Modern Electronic Structure Theory Edited by:Yarkony, D. R., Singapore:World Scientific.
29. Song, J., Khait, Y. G., and Hoffmann, M. R., 2002. J. chem. Phys., 117:4133
30. Roos, B. O., and Andersson, K., 1995. Chem. Phys. Lett., 245:215
31. Olsen, J., Jørgensen, P., Helgaker, T., and Christiansen, O., 2000. J. chem. Phys., 112:9736
32. Choe, Y.-K., Witek, H. A., Finley, J. P., and Hirao, K., 2001. J. chem. Phys., 114:3913
33. Chattopadhyay, S., Sinha Mahapatra, U., Ghosh, P., and Mukherjee, D., 2002. Low-lying Potential Energy Surfaces, ACS Books Symposium Series 828 Edited by:Hoffmann, M. R., and Dyall, K. G., Washington, DC:American Chemical Society.
34. Finley, J. P., Chaudhuri, R. K., and Freed, K. F., 1996. Phys. Rev. A, 54:343
35. Hoffmann, M. R., 1992. Chem. Phys. Lett., 195:127
36. Hoffmann, M. R., 1993. Chem. Phys. Lett., 210:193
37. Assfeld, X., Almlöf, J. E., and Truhlar, D., 1995. Chem. Phys. Lett., 241:438
38. Khait, Y. G., and Hoffmann, M. R., 1998. J. chem. Phys., 108:8317
39. Lengsfield, B. H., 1982. J. chem. Phys., 77:4073
40. Docken, K. K., and Hinze, J., 1972. J. chem. Phys., 57:4928
41. Werner, H. J., and Meyer, W., 1981. J. chem. Phys., 74:5802
42. Diffenderfer, R. N., and Yarkony, D. R., 1982. J. phys. Chem., 86:5098
43. Hoffmann, M. R., Sherrill, C. D., Leininger, M. L., and Schaefer, H. F., III. 2002. Chem. Phys. Lett., 355:183
44. Dunning, T. H., Jr. 1989. J. chem. Phys., 90:1007
45. Woon, D. E., and Dunning, T. H., Jr. 1993. J. chem. Phys., 98:1358
46. Whitton, W. N., and Kuntz, P. J., 1976. J. chem. Phys., 64:3624