Outer-valence Green's function study of cycloalkane and cycloalkyl-alkane compounds

Journal of Physical Chemistry A

Volumn 105, Issue 27, 2001, Pages 6695-6702

  Deleuze, M S ^a   Delhalle, J ^b  

^a HASSELT UNIVERSITY   (Belgium)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; GOLD; GREEN'S FUNCTION; IONIZATION; MOLECULAR STRUCTURE; MONOLAYERS; PHOTOELECTRON SPECTROSCOPY; ULTRAVIOLET RADIATION;

ULTRAVIOLET PHOTOELECTRON SPECTRA (UPS);

HYDROCARBONS;

EID: 0035849722     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp004406+     Document Type: Article

References (43)

1. Delhalle, J.; André, J.-M.; Delhalle, S ; Pireaux, J.-J.; Caudano, R.; Verbist, J. J. Chem. Phys. 1974, 60, 595.
2. Pireaux, J.-J.; Riga, J.; Caudano, R.; Verbist, J. In Photon, Electron and Ion Probes of Polymer Structure and Properties; Dwight, D. W., Fabish, Th. J., Thomas, H. R., Eds.; ACS Symp. Series No 162; American Chemical Society: Washington, DC, 1981; p 169.
3. Salaneck, W. R. In CRC Critical Reviews in Solid State and Materials Science; CRC Press: Cleveland, 1985; Vol. 12, pp 267-296 and references therein.
4. Boulanger, P.; Lazzaroni, R.; Verbist, J.; Delhalle, J. Chem. Phys. Lett. 1986, 129, 275.
5. Salaneck, W. R.; Brédas, J.-L. In Organic Materials for Electronics; Brédas, J.-L., Salaneck, W. R., Wegner, G., Eds.; North-Holland: Amsterdam, 1994; p 15.
6. Yoshimura, D.; Ishii, H.; Ouchi, Y.; Ito, E.; Miyamae, T.; Hasegawa, S.; Okudaira, K. K.; Ueno, N.; Seki, K. Phys. Rev. B 1999, 60, 9046.
7. Beamson, G.; Pickup, B. T.; Li, W.; Mai, S -M. J. Phys. Chem. B 2000, 104, 2656.
8. Delhalle, J.; Deleuze, M. J. Mol. Struct. (THEOCHEM) 1992, 261, 187.
9. (a) Delhalle, J.; Denis, J. P.; Deleuze, M.; Riga, J.; Dosière, M. Chem. Phys. Lett. 1993, 210, 21.
10. (b) Riga, J.; Delhalle, J ; Deleuze, M.; Pireaux, J. J.; Verbist, J. Surf. Int. Anal. 1994, 22, 507.
11. Deleuze, M.; Delhalle, J ; Pickup, B. T.; Svensson, S. J. Am. Chem. Soc. 1994, 116, 10715.
12. Delhalle, J.; Delhalle, S ; Riga, J. J. Chem. Soc., Faraday Trans. 2 1987, 83, 503.
13. Deleuze, M ; Denis, J.-P.; Delhalle, J ; Pickup, B. T. J. Phys. Chem. 1993, 97, 5115.
14. Deleuze, M.; Delhalle, J.; Pickup, B. T. Chem. Phys. 1993, 175, 427.
15. Deleuze, M.; Delhalle, J.; Pickup, B. T. J. Phys. Chem. 1994, 98, 2382.
16. Flamant, I.; Mosley, D. H.; Deleuze, M ; André, J.-M.; Delhalle, J. Int. J. Quantum Chem. 1994, S28, 469.
17. Guimon, M. F.; Guimon, C.; Metras, F.; Pfister-Guillouzo, G. J. Am. Chem. Soc. 1976, 98, 2078.
18. Carnovale, F.; Gan, T. H ; Peel, J. B. J. Electron Spectrosc. Relat. Phenom. 1979, 16, 87.
19. Karlsson, L.; Åsbrink, L.; Fridh, C.; Lindholm, E.; Svensson, A. Phys. Scr. 1980, 21, 170.
20. Seki, K.; Ueno, N.; Karlsson, U. O.; Engelhardt, R.; Koch, E.-E. Chem. Phys. 1986, 105, 247.
21. Seki, K.; Inokuchi, H. Chem. Phys. Lett. 1982, 89, 268.
22. Seki, K.; Sato, N.; Inokuchi, H. Chem. Phys. 1993, 178, 207.
23. Hasegawa, S ; Tanaka, S ; Yamashita, Y.; Inokuchi, H.; Fujimoto, H.; Kamiya, K.; Seki, K.; Ueno, N. Phys. Rev. B 1993, 48, 2596.
24. Ueno, N. Jpn J. Appl. Phys. 1999, 38 (suppl. 1), 226.
25. (a) Cederbaum, L. S. Adv. Chem. Phys. 1977, 36, 205.
26. (b) von Niessen, W.; Schirmer, J.; Cederbaum, L. S. Comput. Phys. Rep. 1984, 1, 57.
27. (c) Ortiz, J. V. J. Chem. Phys. 1988, 89, 6348.
28. (d) Zakrzewski, V. G.; von Niessen, W. J. Comput. Chem. 1993, 14, 13.
29. Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S. Handbook of HeI. Photoelectron Spectra of Fundamental Organic Molecules; Halsted Press: New York, 1981.
30. Duwez, A.-S.; Pfister-Guillouzo, G.; Delhalle, J.; Riga, J. J. Phys. Chem. B 2000, 104, 9029.
31. Ulman, A. Chem. Rev. 1996, 96, 1533.
32. (a) Duwez, A.-S.; Riga, J.; Ghijsen, J ; Pireaux, J.-J.; Verbist, J. J.; Delhalle, J. J. Electron Spectrosc. Relat. Phenom. 1995, 76, 523.
33. (b) Duwez, A.-S ; Riga, J.; Han, B. Y.; Delhalle, J. J. Electron Spectrosc. Relat. Phenom. 1996, 81, 55.
34. (c) Duwez, A.-S ; Di Paolo, S.; Ghijsen, J.; Riga, J.; Deleuze, M. S.; Delhalle, J. J. Phys. Chem. B 1997, 101, 884.
35. Sun, J.-Q.; Bartlett, R. J. Phys. Rev. Lett. 1996, 77, 3669.
36. Deleuze, M ; Delhalle, J.; Pickup, B. T. J. Electron Spectrosc. Relat. Phenom. 1992, 60, 37.
37. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A ; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S ; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision B.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
38. Deleuze, M. S.; Cederbaum, L. S. J. Chem. Phys. 1996, 105, 7583.
39. Golod, A.; Deleuze, M.; Cederbaum, L. S J. Chem. Phys. 1999, 110, 6014.
40. Pang, W. N.; Gao, J. F.; Ruan, C. J.; Shang, R. C.; Trofimov, A. B.; Deleuze, M. S. J. Chem. Phys. 2000, 108, 8725.
41. Deleuze, M. S.; Pang, W. N.; Salam, A.; Shang, R. C. J. Am. Chem. Soc. 2001, 123, 4049.
42. (a) Bersuker, I. B. The John - Teller Effect and Vibronic Interactions in Modern Chemistry; Plenum: New York, 1984.
43. (b) Köppel, H.; Domcke, W.; Cederbaum, L. S. Adv. Chem Phys. 1984, 57, 59.