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AB initio calculations of the potential surfaces and geometry of nonrigid molecules I. The complex molecule LiBH4

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Literature cited

  1. N. G. Rambidi, J. Mol. Struct.,28, 77, 89 (1975).

    Google Scholar 

  2. E. Clementi, H. Kistenmacher, and H. Popke, J. Chem. Phys.,58, 2460 (1973).

    Google Scholar 

  3. E. L. Wagner, Theor. Chim. Acta,32, 295 (1974).

    Google Scholar 

  4. A. Hinchiffe and J. C. Dodson, Mol. Phys.,28, 543 (1974).

    Google Scholar 

  5. S. P. So and W. G. Richards, Chem. Phys. Lett.,32, 231 (1975).

    Google Scholar 

  6. J. L. Gole, A. K. Q. Siu, and E. F. Hayes, J. Chem. Phys.,58, 857 (1973).

    Google Scholar 

  7. R. K. Pearson, H. F. Schaefer III, and V. Wahlgren, J. Chem. Phys.,62, 350 (1975).

    Google Scholar 

  8. B. Roos and P. Siegbahn, Theor. Chim. Acta,17, 209 (1970).

    Google Scholar 

  9. E. Clementi and J. W. Mehl, IBMOL-5 Program User's Guide, IBM Research Laboratory, San Jose, California (1971).

    Google Scholar 

  10. S. Huzinaga, J. Chem. Phys.,42, 1293 (1965).

    Google Scholar 

  11. T. H. Dunning, J. Chem. Phys.,53, 2823 (1970).

    Google Scholar 

  12. P. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc.,94, 8016 (1972).

    Google Scholar 

  13. S. Rothenberg and H. F. Schaeber III, J. Chem. Phys.,54, 2764 (1971).

    Google Scholar 

  14. S. Rothenberg and H. F. Schaeber III, J. Am. Chem. Soc.,95, 2095 (1973).

    Google Scholar 

  15. W. C. Ermber and C. W. Kern, J. Chem. Phys.,61, 3860 (1974).

    Google Scholar 

  16. K. S. Krasnov, V. S. Timoshinin, T. G. Danilova, and S. V. Khandozhko, Molecular Constants of Inorganic Compounds [in Russian], Khimiya, Leningrad (1968).

    Google Scholar 

  17. A. Shepp and S. H. Bauer, J. Am. Chem. Soc.,76, 265 (1954).

    Google Scholar 

  18. J. R. Movieg, A. B. Johnson, Y. Fu, and G. R. Mill, Adv. Chem. Ser.,32, 157 (1967).

    Google Scholar 

  19. V. V. Volkov, E. V. Sobolev, Z. A. Grankina, and N. S. Kalinina, Zh. Neorg. Khim.,13, 157 (1968).

    Google Scholar 

  20. P. T. Ford and H. M. Powell, Acta Crystallogr.,7, 604 (1954).

    Google Scholar 

  21. E. R. Peterson, Dissertation Abstr.,25, 5588 (1965).

    Google Scholar 

  22. H. B. Schalegel, S. Wolfe, and F. Bernardi, J. Chem. Phys.,63, 3632 (1975).

    Google Scholar 

  23. V. Wahlgren, J. Pacansky, and P. S. Bagus, J. Chem. Phys.,63, 2876 (1975).

    Google Scholar 

  24. A. Almenningen, G. Gundersen, and A. Haaland, Acta Chem. Scand.,22, 328 (1968).

    Google Scholar 

  25. V. Plato and K. Hedberg, Inorg. Chem.,10, 590 (1971).

    Google Scholar 

  26. D. S. Marynick and W. Lipscomb, J. Am. Chem. Soc.,95, 7244 (1973).

    Google Scholar 

  27. R. Ahlrichs, Chem. Phys. Lett.,19, 174 (1973).

    Google Scholar 

  28. K. Venkateswarlu and D. Triruganasambandam, Proc. Indian Acad. Sci.,A48, 344 (1958).

    Google Scholar 

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Institute for New Chemical Problems, Academy of Sciences of the USSR. All-Union Scientific-Research Institute for the Metrological Service. Institute of Catalysis, Academy of Sciences of the USSR, Siberian Branch. Translated from Zhurnal Strukturnoi Khimii, Vol. 18, No. 1, pp. 16–28, January–February, 1977.

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Boldyrev, A.I., Charkin, O.P., Rambidi, N.G. et al. AB initio calculations of the potential surfaces and geometry of nonrigid molecules I. The complex molecule LiBH4 . J Struct Chem 18, 13–22 (1977). https://doi.org/10.1007/BF00745421

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  • DOI: https://doi.org/10.1007/BF00745421

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