Bulletin of the Korean Chemical Society

  • 제21권1호
  • /
  • Pages.148-150
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  • 2000
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Density Functional Theory/GIAO/CSGT Studies of the $C^13$ NMR Chemical Shifts in 1-Chlorosilatrane

  • 발행 : 20000100
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참고문헌

  1. Pure Appl. Chem. v.13 Voronkov, M. G.
  2. J. Organomet. Chem. v.233 Voronkov, M. G.; Dyakov, V. M.; Kirpichenko, S. V.
  3. Rev. Silicon, Germanium, Tin Lead Compd. v.8 Hencsei, P.; Parkanyi, L.
  4. J. Comput. Chem. v.15 Csonka, G. I.; Hencsei, P.
  5. J. Comput. Chem. v.17 Csonka, G. I.; Hencsei, P.
  6. J. Organomet. Chem. v.1 Parkanyi, L.; Hencsei, P.; Bihatsi, L.; Muller, T.
  7. Struct. Chem. v.1 Forgacs, G.; Kolonits, M.; Hargittai, I.
  8. Cryst. Struct. Commum. v.7 Parkanyi, L.; Bihatsi, L.; Hencsei, P.
  9. J. Mol. Struct. v.64 Shen, Q.; Hilderbrandt, R. L.
  10. Dokl. Akad. Nauk SSSR v.243 Kemme, A. A.; Bleidelis, Ya.; Pestunovich, V. A.; Baryshok,V. P.; Voronkov, M. G.
  11. The Nature of the Chemical Bond Pauling, L.
  12. Inorg. Chim. Acta v.20 Glidewell, C.
  13. Dokl. Akad. Nauk SSSR v.301 Sidurkin, V. F.; Balakchi, G. K.; Voronkov, M. G.; Pestunovich,V. A.
  14. Bull. Korean Chem. Soc. v.18 Kim, D. H.; Lee, M. J.
  15. Bull. Korean Chem. Soc. v.19 Kim, D. H.; Lee, M. J.; Oh, S. W.
  16. Mol. Phys. v.27 Ditchfield, R.
  17. Chem. Phys. Lett. v.210 Keith, T. A.; Bader, R. F. W.
  18. Gaussian 94 Frisch, M. J.; Trucks, G. W.; Schlegel, G. 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-Lagam, 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.
  19. J. Phys. Rev. A v.140 Kohn, W.; Sham, L.
  20. Quantum Theory of Molecules and Solids:The Self-Consistent Field for Molecules and Solids v.4 Slater, J. C.
  21. Can. J. Phys. v.58 Vosko, S. H.; Wilk, L.; Nusair, M.
  22. Phys. Rev. A v.38 Becke, A. D.
  23. Phys. Rev. B v.37 Lee, C.; Yang, W.; Par, R. G.
  24. Phys. Rev. B v.45 Perdew, J. P.;Wang, Y.
  25. J. Chem. Phys. v.98 Becke, A. D.
  26. J. Am. Chem. Soc. v.115 Iwamiya, J. H.; Maciel, G. E.

피인용 문헌

  1. DFT-GIAO 계산에 의한 Indolenium Squaraine 염료의 형태분석 vol.48, pp.5, 2000, https://doi.org/10.5012/jkcs.2004.48.5.537
  2. Conformational Study of Liquid Crystalline Polymer: Theoretical Studies vol.27, pp.1, 2000, https://doi.org/10.5012/bkcs.2006.27.1.039
  3. Molecular precursors of mesostructured silica materials in the atrane route: A DFT/GIAO/NBO theoretical study vol.822, pp.1, 2000, https://doi.org/10.1016/j.theochem.2007.07.022
  4. Theoretical study of oligomeric alumatranes present in the chemistry of materials from micro to mesoporous molecular sieves and alumina composites vol.850, pp.1, 2008, https://doi.org/10.1016/j.theochem.2007.10.025
  5. Silatranes: a review on their synthesis, structure, reactivity and applications vol.40, pp.3, 2000, https://doi.org/10.1039/b925899j
  6. Synthesis, spectral and chemical reactivity analysis of 2,4-dinitrophenyl hydrazone having pyrrole moiety vol.1097, pp.None, 2000, https://doi.org/10.1016/j.molstruc.2015.05.020
  7. Structural studies of malonaldehyde–glyoxal and malonaldehyde–methylglyoxal etheno adducts of adenine nucleosides based on spectroscopic methods and DFT-GIAO calculations vol.40, pp.4, 2000, https://doi.org/10.1039/c5nj02835c