Molecular orbital model for pyridine/α-pyridyl adsorption on metal surfaces

Journal of Physical Chemistry C

Volumn 111, Issue 14, 2007, Pages 5493-5496

  Jones, Travis E ^a   Zuo, Chen ^a   Jagodzinski, Paul W ^a   Eberhart, Mark E ^a  

^a Department of Geology and Geological Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING; ELECTRODE POTENTIALS; METAL WAVEFUNCTIONS; SURFACE SPECIES;

ADSORPTION; BONDING; CORRELATION METHODS; ELECTRODES; ELECTRONIC DENSITY OF STATES; MOLECULAR ORBITALS; WAVE FUNCTIONS;

PYRIDINE;

EID: 34248216076     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp068458w     Document Type: Article

References (20)

1. Zuo, C.; Jagodzinski, P. W. J. Phys. Chem. B 2005, 109, 1788.
2. te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
3. Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391.
4. ADF2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands: http://www.scm.com.
5. van Lenthe, E.; Ehlers, A. E.; Baerends, E. J. J. Chem. Phys. 1999, 110, 8943.
6. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597.
7. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1994, 101, 9783.
8. van Lenthe, E.; Snijders, J. G.; Baerends, E. J. J. Chem. Phys. 1996, 105, 6505.
9. van Lenthe, E.; van Leeuwen, R.; Baerends, E. J.; Snijders, J. G. Int. J. Quantum Chem. 1996, 57, 281.
10. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
11. Kittel, C. Introduction to Solid State Physics, 7th ed.; J. Wiley and Sons: New York, 1996.
12. Cullity, B. D. Elements of X-Ray Diffraction, 2nd ed.; Addison-Wesley Publishing Co.: Reading, MA, 1978.
13. Bauschlicher, C. W., Jr. J. Chem. Phys. 1994, 101, 3250.
14. Jacob, T.; Fritzsche, S.; Sepp, W.-D.; Fricke, B.; Anton, J. Phys. Lett. A 2002, 300, 71.
15. Hu, Zhenming; Boyd, R. J. J. Chem. Phys. 2000, 112, 9562.
16. Levine, I. Quantum Chemistry, 5th ed.; Prentice Hall: Upper Saddle River, NJ, 1970.
17. Brolo, A. G.; Irish, D. E.; Lipkowski, J. J. Phys. Chem. B. 1997, 101, 3906.
18. Chase, B.; Parkinson, B. J. Phys. Chem. 1991, 95, 7810.
19. Aramaki, K.; Yamada, M.; Uehara, J.; Nishihara, H. J. Electrochem. Soc. 1991, 138, 3389.
20. Guo, L.; Huang, Q.; Li, X-y.; Yang, S. Phys. Chem. Chem. Phys. 2001, 5, 1661.