Theoretical study on the circular dichroism in core and valence photoelectron angular distributions of camphor enantiomers

Journal of Chemical Physics

Volumn 124, Issue 2, 2006, Pages

  Stener, M ^a,b   Di Tommaso, D ^a,b   Fronzoni, G ^a,b   Decleva, P ^a,b   Powis, I ^c  

^a UNIVERSITY OF TRIESTE   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; CONTINUUM MULTIPLE SCATTERING; EXCHANGE-CORRELATION POTENTIAL LIMITATIONS; PHOTOELECTRON ANGULAR DISTRIBUTIONS;

CORRELATION METHODS; ELECTRON SCATTERING; ISOMERS; PHOTOIONIZATION;

AROMATIC COMPOUNDS;

CAMPHOR; CARBON; ION; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CIRCULAR DICHROISM; COMPUTER PROGRAM; ELECTRON; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY; RADIATION SCATTERING; STATISTICAL MODEL; STEREOISOMERISM; THEORETICAL MODEL;

CAMPHOR; CARBON; CHEMISTRY, PHYSICAL; CIRCULAR DICHROISM; ELECTRONS; IONS; KINETICS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; OXYGEN; SCATTERING, RADIATION; SOFTWARE; STEREOISOMERISM;

EID: 33645825022     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2150438     Document Type: Article

References (39)

1. B. Ritchie, Phys. Rev. A 13, 1411 (1976).
2. N. Böwering, T. Lischke, B. Schmidtke, N. Müller, T. Khalil, and U. Heinzmann, Phys. Rev. Lett. 86, 1187 (2001).
3. G. Garcia, L. Nahon, M. Lebech, J. C. Houver, D. Dowek, and I. Powis, J. Chem. Phys. 119, 8781 (2003).
4. U. Hergenhahn, E. E. Rennie, O. Kugeler, S. Marburger, T. Lischke, I. Powis, and G. Garcia, J. Chem. Phys. 120, 4553 (2004).
5. T. Lischke, N. Böwering, B. Schmidtke, N. Müller, T. Khalil, and U. Heinzmann, Phys. Rev. A 70, 022507 (2004).
6. S. Turchini, N. Zema, G. Contini, G. Alberti, M. Alagia, S. Stranges, G. Fronzoni, M. Stener, P. Decleva, and T. Prosperi, Phys. Rev. A 70, 014502 (2004).
7. I. Powis, J. Chem. Phys. 112, 301 (2000).
8. I. Powis, J. Phys. Chem. A 104, 878 (2000).
9. M. Stener, G. Fronzoni, D. Di Tommaso, and P. Decleva, J. Chem. Phys. 120, 3284 (2004).
10. E. E. Rennie, I. Powis, U. Hergenhahn, O. Kugeler, G. Garcia, T. Lischke, and S. Marburger, J. Electron Spectrosc. Relat. Phenom. 125, 197 (2002).
11. G. A. Garcia, L. Nahon, C. J. Harding, E. A. Mikajlo, and I. Powis (unpublished).
12. A. F. Starace, in Theory of Atomic Photoionization, Handbuch der Physik Vol. 31, edited by, E. Flugge, (Springer-Verlag, Berlin, 1982).
13. D. Toffoli, M. Stener, G. Fronzoni, and P. Decleva, Chem. Phys. 276, 25 (2002).
14. A. Giardini, D. Catone, S. Stranges et al., ChemPhysChem 6, 1164 (2005).
15. E. J. Baerends, D. E. Ellis, and P. Ros, Chem. Phys. 2, 41 (1973).
16. C. Fonseca Guerra, J. G. Snijders, G. te Velde, and J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
17. R. Van Leeuwen and J. Baerends, Phys. Rev. A 49, 2421 (1994).
18. M. Stener, S. Furlan, and P. Decleva, J. Phys. B 33, 1081 (2000).
19. P. G. Burke, N. Chandra, and F. A. Gianturturco, J. Phys. B 5, 2212 (1972).
20. H. Bachau, E. Cormier, P. Decleva, J. E. Hansen, and F. Martín, Rep. Prog. Phys. 64, 1601 (2001).
21. M. Brosolo and P. Decleva, Chem. Phys. 159, 185 (1992).
22. N. Chandra, J. Phys. B 20, 3405 (1987).
23. D. Dill and J. L. Dehmer, J. Chem. Phys. 61, 692 (1974); J. W. Davenport, dissertation, University of Pennsylvania, 1976.
24. D. Dill and J. L. Dehmer, J. Chem. Phys. 61, 692 (1974); J. W. Davenport, dissertation, University of Pennsylvania, 1976.
25. P. Downie and I. Powis, J. Chem. Phys. 111, 4535 (1999).
26. J. C. Slater, Quantum Theory of Molecules and Solids (McGraw-Hill, New York, 1974).
27. J. Kong, C. A. White, A. I. Krylov et al., J. Comput. Chem. 21, 1532 (2000).
28. Y. Takai and K. H. Johnson, Chem. Phys. Lett. 189, 518 (1992).
29. J. G. Norman, Jr., Mol. Phys. 31, 1191 (1976).
30. C. J. Harding and I. Powis, J. Chem. Phys. (submitted).
31. P. Colavita, G. De Alti, G. Fronzoni, M. Stener, and P. Decleva, Phys. Chem. Chem. Phys. 3, 4481 (2001).
32. M. B. Robin, Chem. Phys. Lett. 119, 33 (1985).
33. M. Stener, P. Decleva, and A. Lisini, J. Mol. Struct.: THEOCHEM 357, 125 (1995).
34. M. Stener and P. Decleva, J. Chem. Phys. 112, 10871 (2000).
35. M. Stener, G. Fronzoni, D. Toffoli, and P. Decleva, Chem. Phys. 282, 337 (2002).
36. G. Fronzoni, M. Stener, and P. Decleva, J. Chem. Phys. 118, 10051 (2003).
37. M. Stener, P. Decleva, and A. Lisini, J. Phys. B 28, 4973 (1995).
38. M. Stener, G. Fronzoni, and P. Decleva, J. Chem. Phys. 122, 234301 (2005).
39. G. Fronzoni, M. Stener, S. Furlan, and P. Decleva, Chem. Phys. 273, 117 (2001).