Bulletin of the Korean Chemical Society

  • 제27권8호
  • /
  • Pages.1219-1221
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  • 2006
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Examination of Gaussian-Type Basis Sets on Alkali Metal Iodides

  • 발행 : 2006.08.20
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초록

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참고문헌

  1. Frisch, AE.; Frisch, M. J.; Trucks, G. W. Gaussian 03 User's Reference; Gaussian Inc.: Carnegie, PA, 2003; Chapter 3
  2. Andzelm, J.; K obukowski, M.; Radzio-Andzelm, E. J. Comput. Chem. 1984, 5, 146 https://doi.org/10.1002/jcc.540050205
  3. Tatewaki, H.; Huzinaga, S. J. Comput. Chem. 1980, 1, 205 https://doi.org/10.1002/jcc.540010302
  4. Sakai, Y.; Tatewaki, H.; Huzinaga, S. J. Comput. Chem. 1981, 2, 100 https://doi.org/10.1002/jcc.540020117
  5. Tatewaki, H.; Sakai, Y.; Huzinaga, S. J. Comput. Chem. 1981, 2, 278 https://doi.org/10.1002/jcc.540020310
  6. Sakai, Y.; Tatewaki, H.; Huzinaga, S. J. Comput. Chem. 1982, 3, 6 https://doi.org/10.1002/jcc.540030103
  7. Wiberg, K. B.; Sklenak, S. Organometallics 2001, 20, 771 https://doi.org/10.1021/om000820k
  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

피인용 문헌

  1. Substituent Effects on the Gas-Phase Pyrolyses of 2-Substituted Ethyl N,N-Dialkylcarbamates: A Theoretical Study vol.28, pp.6, 2006, https://doi.org/10.5012/bkcs.2007.28.6.1031
  2. Physical Chemistry Research Articles Published in the Bulletin of the Korean Chemical Society: 2003-2007 vol.29, pp.2, 2008, https://doi.org/10.5012/bkcs.2008.29.2.450
  3. Basis Set Superposition Error on Structures and Complexation Energies of Organo-Alkali Metal Iodides vol.31, pp.8, 2010, https://doi.org/10.5012/bkcs.2010.31.8.2228