Unoccupied orbital energies of 1,4-benzenedithiol and the HOMO-LUMO gap

Chemical Physics Letters

Volumn 466, Issue 4-6, 2008, Pages 131-135

  Scheer, A M ^a   Gallup, G A ^a   Burrow, P D ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LOSS SPECTROSCOPY; GALLIUM ALLOYS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

ETHYNYL; EXPERIMENTAL MEASUREMENTS; HF METHODS; IONIZATION ENERGIES; LUMO ENERGIES; ORBITAL ENERGIES; RELATED COMPOUNDS; SCALINGS;

DENSITY FUNCTIONAL THEORY;

EID: 56649112839     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.10.057     Document Type: Article

References (30)

1. Reed M.A., Zhou C., Mueller C.J., Burgin T.P., and Tour J.M. Science 278 (1997) 252
2. Nitzan A., and Ratner M.A. Science 300 (2003) 1384
3. Piccinin S., Selloni A., Scandolo S., Car R., and Scoles G. J. Chem. Phys. 119 (2003) 6729
4. Xue Y., Datta S., and Ratner M.A. J. Chem. Phys. 115 (2001) 4292
5. Kopf A., and Saalfrank P. Chem. Phys. Lett. 386 (2004) 17
6. Ventra M.Di., Pantelides S.T., and Lang N.D. Phys. Rev. Lett. 84 (2000) 979
7. Fan F.F., et al. J. Am. Chem. Soc. 126 (2004) 2568
8. Xue Y., and Ratner M.A. Phys. Rev. B 68 (2003) 115406
9. Emberly E., and Kirczenow G. Nanotechnology 10 (1999) 285
10. Scheer A.M., and Burrow P.D. J. Phys. Chem. B 110 (2006) 17751
11. Sanche .L., and Schulz G.J. Phys. Rev. A 5 (1972) 1672
12. Stamatovic A., and Schulz G.J. Rev. Sci. Instrum. 41 (1970) 423
13. Modelli A., Distefano D., Guerra M., Jones D., and Rossini S. Chem. Phys. Lett. 132 (1986) 448
14. Modelli A., Jones D., Colonna P., and Distefano G. Chem. Phys. 77 (1983) 153
15. Guerra M., Distefano G., Jones D., Colonna P., and Modelli A. Chem. Phys. 91 (1984) 383
16. Schmidt M.W., et al. J. Comput. Chem. 14 (1993) 1347
17. Koopmans .T. Physica 1 (1933) 105
18. Chen D., and Gallup G.A. J. Chem. Phys. 93 (1990) 12
19. Staley S.W., and Strnad J.T. J. Phys. Chem. 98 (1994) 116
20. Modelli A. Phys. Chem. Chem. Phys. 5 (2003) 2923
21. Aflatooni K., Gallup G.A., and Burrow P.D. J. Phys. Chem. A 104 (2000) 7359
22. Portmann S. CHIMIA 54 (2000) 766. see Molekel
23. Kushmerick J.G., et al. J. Am. Chem. Soc. 124 (2002) 10654
24. Majumder C., Briere T., Mizuseki H., and Kawazoe Y. J. Phys. Chem. A 106 (2002) 7911
25. See, for example. Zhang G., and Musgrave C.B. J. Phys. Chem. A 111 (2007) 1554
26. Goerling A. Phys. Rev. A 54 (1996) 3912
27. Caruso A.N., Rajesh R., Gallup G., Redepenning J., and Dowben P.A. J. Phys.: Condens. Matter. 16 (2004) 845
28. Caruso A.N., Rajesh R., Gallup G., Redepenning J., and Dowben P.A. J. Phys. Chem. B 108 (2004) 6910
29. Feng D.-Q., Wisbey D., Losovyj Ya.B., Zharnikov Y.TaiM., and Dowben P.A. Phys. Rev. B 74 (2006) 165425
30. Watkins N.J., et al. Chem. Phys. Lett. 446 (2007) 359