Electronic Structure and Low-Lying Electronic States of A13O and A13O-: Photoelectron Spectrum of Al3O-

Journal of Physical Chemistry A

Volumn 103, Issue 15, 1999, Pages 2867-2872

  Ghanty, Tapan K ^a,b   Davidson, Ernest R ^a  

^a INDIANA UNIVERSITY   (United States)

^b BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001358088     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp984555g     Document Type: Article

References (28)

1. See, for example: Desjardins, S. J.; Bawagan, A. D. O.; Liu, Z. F.; Tan, K. H.; Yang, Y.; Davidson, E. R. J. Chem. Phys. 1995, 102, 6385, and references therein.
2. Bawagan, A. D. O.; Desjardins, S. J.; Dailey, R.; Davidson, E. R. J. Chem. Phys. 1997, 107, 4295.
3. Moghaddam, M. S.; Desjardins, S. J.; Bawagan, A. D. O.; Tan, K. H.; Yang, Y.; Davidson, E. R. J. Chem. Phys. 1995, 103, 10537.
4. Rolke, J.; Zheng, Y.; Brion, C. E.; Yang, Y. A.; Davidson, E. R. Chem. Phys. 1998, 230, 153.
5. Bawagan, A. D. O.; Ghanty, T. K.; Davidson, E. R.; Tan, K. H. Chem. Phys. Lett. 1998, 287, 61.
6. Ghanty, T. K.; Davidson, E. R. Mol Phys., in press.
7. Cederbaum, L. S.; Domcke, W.; Schirmer, J.; von Niessen, W. Adv. Chem. Phys. 1986, 65, 115.
8. Metal Clusters; Moskovits, M., Ed.; Wiley: New York, 1986.
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19. Gaussian 94; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Peterson, 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, Inc., Pittsburgh, PA, 1995.
20. Dupuis, M.; Marquez, A.; Davidson, E. R. "HONDO 95.6", IBM Corp., Neighborhood Road, Kingston, NY 12401, 1995.
21. MELD is a set of electronic structure programs written by McMurchie, L. E.; Elbert, S. T.; Langhoff, S. R.; Davidson, E. R., with extensive modifications by Feller, D.; Rawlings, D. C.
22. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358.
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24. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6769. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
25. Feller, D.; Davidson, E. R. J. Chem. Phys. 1981, 84, 3977.
26. Davidson, E. R. J. Am. Chem. Soc. 1977, 99 397.
27. Pearson, R. G. J. Am. Chem. Soc. 1969, 91, 4947. Borden, W. T.; Davidson, E. R.; Hart, P. J. Am. Chem. Soc. 1978, 100, 388.
28. Pearson, R. G. J. Am. Chem. Soc. 1969, 91, 4947. Borden, W. T.; Davidson, E. R.; Hart, P. J. Am. Chem. Soc. 1978, 100, 388.