The electronic states of oxazole studied by VUV absorption and electron energy-loss (EEL) spectroscopies, and ab initio configuration interaction methods

Chemical Physics

Volumn 334, Issue 1-3, 2007, Pages 154-166

  Palmer, Michael H ^a   Ganzenmüller, Georg ^a   Walker, Isobel C ^b  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b HERIOT WATT UNIVERSITY   (United Kingdom)

Author keywords

CI calculations; EEL spectrum; Excited states; Molecular properties; Photoelectron spectrum; Rydberg states; Valence states; VUV spectrum

Indexed keywords

EID: 34247361286     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.02.021     Document Type: Article

References (30)

1. Palmer M.H., Walker I.C., Ballard C.C., and Guest M.F. Chem. Phys. 192 (1995) 111
2. Palmer M.H., Walker I.C., and Guest M.F. Chem. Phys. 238 (1998) 179
3. Palmer M.H., and Wilson P.J. Molec. Phys. 101 (2003) 2391
4. Palmer M.H., Walker I.C., and Guest M.F. Chem. Phys. 241 (1999) 275
5. Palmer M.H., Walker I.C., and Guest M.F. Chem. Phys. 247 (1999) 349
6. Walker I.C., Palmer M.H., Hubin-Franskin M.-J., and Delwiche J. Chem. Phys. Lett. 367 (2003) 517
7. Palmer M.H., and Guest M.F. Chem. Phys. 291 (2003) 287
8. Walker I.C., Palmer M.H., Delwiche J., Hoffmann S.V., Vieora P.L., Mason N.J., Guest M.F., Hubin-Franskin M.-J., Heinesch J., and Giuliani A. Chem. Phys. 297 (2004) 289
9. Mackrodt W.C., Wardley A., Curnuck P.A., Owen N.L., and Sheridan J. Chem. Commun. (1966) 692
10. Davidson J.R., Burnham A.K., Siegel B., Beak P., and Flygare W.H. J. Am. Chem. Soc. 96 (1974) 7394
11. Kumar A., Sheridan J., and Stiefvater O.L. Z. Naturforsch. 33A (1978) 145
12. Stiefvater O.L. Z. Naturforsch. 33A (1978) 153
13. Kumar A., Sheridan J., and Stiefvater O.L. Z. Naturforsch. 33A (1978) 549
14. Kassimi N.E.-B., Doerksen R.J., and Thakkar A.J. J. Phys. Chem. 100 (1996) 8752
15. Doerksen R.J., and Thakkar A.J. J. Phys. Chem. A 103 (1999) 10009
16. Palmer M.H., Findlay R.H., and Egdell R.G. J. Mol. Struct. 40 (1977) 191
17. Davies D.W., and Mackrodt W.C. Chem. Commun. (1967) 345
18. Walker I.C., Palmer M.H., and Hopkirk A. Chem. Phys. 141 (1990) 365
19. Keenan G.A., Walker I.C., and Dance D.F. J. Phys. B15 (1982) 2509
20. C.E. Moore, 'Atomic Energy Levels', Vol. 2, US Natl. Bur. Stand. Circ. No. 467, 1952.
21. McLean A.D., and Chandler G.S. J. Chem. Phys. 72 (1980) 5639
22. Ahlrichs R., and Taylor P.R. J. Chim. Phys. 78 (1981) 315
23. Dunning T.H. J. Chem. Phys. 90 (1989) 1007
24. Guest M.F., Bush I.J., Van Dam H.J.J., Sherwood P., Thomas J.M.H., Van Lenthe J.H., Havenith R.W.A., and Kendrick J. Molec. Phys. 103 (2005) 719
25. Buenker R.J. In: Burton P.G. (Ed). Proceedings of the Workshop on Quantum Chemistry and Molecular Physics (1980), Woolongong University Press
26. Buenker R.J. In: Bartlett R.J. (Ed). Studies in Physical and Theoretical Chemistry (1982), Elsevier, Amsterdam
27. Buenker R.J., and Phillips R.A. J. Mol. Struct. (Theochem) 123 (1985) 291
28. Kobayashi T., Kubota T., Ezumi K., and Utsunomiya C. Bull. Chem. Soc. Jpn. 55 (1982) 3915
29. Eland J.H.D. Photoelectron Spectroscopy. second ed. (1984), Butterworth, London, UK
30. Modelli A., and Burrow P.D. J. Phys. Chem. A 108 (2004) 5721