On the reaction of FNO2 with CH3, tert-butyl, and C13H21

Journal of Physical Chemistry A

Volumn 101, Issue 6, 1997, Pages 1188-1192

  Thummel H T ^a   Bauschlicher Jr , C W ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DIAMONDS; FLUORINE COMPOUNDS; FREE RADICALS; HYDROGENATION; OPTIMIZATION; PERTURBATION TECHNIQUES; SURFACES;

BOND ENERGIES; DENSITY FUNCTIONAL THEORY;

CHEMICAL REACTIONS;

EID: 0031555768     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963201r     Document Type: Article

References (31)

1. Mamin, H. J.; Terris, B. D.; Fan, L. S.; Hoen, S.; Barrett, R. C.; Rugar, D. IBM J. Res. Dev. 1995, 39, 681.
2. Eigler, D. M.; Schweizer, E. K. Nature 1990, 344, 524-526.
3. Cho, K.; Joannopoulos, J. D. Phys. Rev. B 1996, 53, 4553.
4. Bauschlicher, C. W.; Ricca, A.; Merkle, R. Nanotechnology, in press.
5. Avouris, Ph.; Walkup, R. W.; Rossi, A. R.; Akpati, H, C.; Nordlander, P.; Shen, T.-C.; Lyding, J. W.; Abeln, G. C. Surf. Sci. 1996, 363, 368.
6. Smentkowski, V. S.; Yates, J. T. Science 1996, 271, 193.
7. Geis, M. W.; Angus, J. C. Sci. Am. 1992, 267 (4), 84.
8. Pate, B. B. Surf. Sci. 1986, 165, 83.
9. McMillen, D. F.; Golden, D. M. Annu. Rev. Phys. Chem. 1982, 33, 493.
10. Stevens, P. J.; Devlin, F. J.; Chablowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
11. Bartlett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.
12. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
13. Werner, H. J.; Knowles, P. J. Chem. Phys. 1988, 89, 5803.
14. Knowles, P. J.; Werner, H. J. Chem. Phys. Lett. 1988, 145, 514.
15. Andersson, K.; Roos, B. O. Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific Publishing Company: Singapore, 1995; p 55.
16. Werner, H. J. Mol. Phys. 1996, 59, 645.
17. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265 and references therein.
18. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
19. Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
20. Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 17221.
21. Bauschlicher, C. W.; Partridge, H. J. Chem. Phys. 1995, 103, 1788.
22. Werner, H. J.; Knowles, P. J. Chem. Phys. 1985, 82, 5053.
23. Knowles, P. J.; Werner, H. J. Chem. Phys. Lett. 1985, 115, 259.
24. 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. S.; 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 D.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
25. Herzberg, G. Molecular Spectra and Molecular Structur; Van Nostrand Reinhold Company: New York, 1966; Vol. III.
26. Duncan, J. L. J. Mol. Spectrosc. 1976, 60, 225.
27. Chase, M. W.; Davies, C. A.; Downey, J. R.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. J. Phys. Chem. Ref. Data 1985, 14 (Suppl. 1).
28. Harmony, M. D.; Laurie, V. W.; Kuczkowski, R. L.; Schwendemann, R. H.; Ramsey, R. H.; Lovas, F. J.; Lafferty, W. J.; Maki, A. G. J. Phys. Chem. Ref. Data 1979, 8, 619.
29. Bauschlicher, C. W.; Partridge, H. Chem. Phys. Lett. 1995, 240, 533.
30. Larsson, K.; Lunell, S.; Carlsson, J.-O. Phys. Rev. B. 1993, 48, 2666.
31. Thummel, H. T. To be published.