Computational modeling for scanning tunneling microscopy of physisorbed molecules via ab initio quantum chemistry

Journal of Physical Chemistry A

Volumn 106, Issue 9, 2002, Pages 1802-1814

  Crystal, Joseph ^a   Zhang, Linda Yu ^a,b   Friesner, Richard A ^a   Flynn, George W ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSISORPTION;

ADSORPTION; ELECTRON TRANSITIONS; GRAPHITE; QUANTUM THEORY; SCANNING TUNNELING MICROSCOPY;

SURFACE CHEMISTRY;

EID: 0037035185     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012629+     Document Type: Article

References (22)

1. Tersoff, J.; Hamman, D.R. Phys. Rev. Lett. 1983, 50, 1998.
2. Tersoff, J.; Hamman, D.R. Phys. Rev. B. 1985, 31, 805.
3. Eigler, D.M.; Weiss, P.S.; Schweizer, E.K.; Lang, N.D. Phys. Rev. Lett. 1991, 66, 1189.
4. Ou-Yang, H.; Kallebring, B.; Marcus, R.A. J. Chem. Phys. 1993, 98, 7565.
5. Magonov, S.N.; Whangbo, M.-H. Adv. Mater. 1994, 6, 355.
6. Dabrowski, J.; Mussig, H.-J.; Wolff, G. Phys. Rev. Lett. 1994, 73, 1660.
7. Faglioni, F.; Claypool, C.L.; Lewis, N.S.; Goddard, W.A., III J. Phys. Chem. B 1997, 101, 5996.
8. Corbel, S.; Cerda, J.; Sautet, P. Phys. Rev. B 1999, 60, 1989.
9. Coley, T.R.; Goddard, W.A., III.; Baldeschwieler, J.D. J. Vac. Sci. Technol. B 1991, 9, 470.
10. Zhang, L.Y.; Friesner, R.; Murphy, R.B. J. Chem. Phys. 1997, 107, 450.
11. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 270.
12. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 284.
13. JAGUAR v.3.5, Schrodinger, Inc., Portland, OR, 1998.
14. Friesner, R.A. Chem. Phys. Lett. 1985, 116, 39.
15. Friesner, R.A. J. Chem. Phys. 1987, 86, 3522.
16. Ringnalda, M.N.; Belhadj, M.; Friesner, R.A. J. Chem. Phys. 1990, 93, 3397.
17. Greeley, B.H.; Russo, T.V.; Mainz, D.T.; Friesner, R.A.; Langlois, J.; Goddard, W.A., III.; Donnelly, R.E.; Ringnalda, M.N. J. Chem. Phys. 1994, 101, 4028.
18. Sautet, P.; Dunphy, J.C.; Ogletree, D.F.; Joachim, C.; Salmeron, M. Surf. Sci. 1994, 315, 127.
19. Cyr, D.M.; Venkataraman, B.; Flynn, G.W.; Black, A.; Whitesides, G.W. J. Phys. Chem. 1996, 100, 13747.
20. Claypool, C.L.; Faglioni, F.; Matzger, A.J.; Goddard, W.A., III; Lewis, N.S. J. Phys. Chem. B 1999, 103, 9690.
21. Claypool, C.L.; Fagliord, F.; Goddard, W.A., III; Gray, H.B.; Lewis, N.S.; Marcus, R.A. J. Phys. Chem. B 1997, 101, 5978.
22. Mujica, V.; Kemp, M.; Ratner, M.A. J. Chem. Phys. 1994, 101, 6856.