Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Examination of Gaussian-Type Basis Sets on Alkali Metal Iodides

  • Published : 2006.08.20
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Abstract

Keywords

References

  1. Frisch, AE.; Frisch, M. J.; Trucks, G. W. Gaussian 03 User's Reference; Gaussian Inc.: Carnegie, PA, 2003; Chapter 3
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  8. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.6.; Gaussian, Inc.: Pittsburgh, PA, 1998
  9. Poirier, R.; Kari, R.; Csizmadia, I. G. Handbook of Gaussian Basis Sets; Elsevier: Amsterdam, 1985
  10. The experimental data have been taken from the NIST Chemistry Webbook (http://www.webbook.nist.gov)
  11. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; John Wiley & Sons: New York, 1986

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