Abstract
In order to elucidate the nature of the interaction force effected in perfluorochemical artificial blood, the basis set dependence of the stabilization energy between a model perfluorochemical and oxygen was investigated in detail. The basis set superposition error was removed in each case. The interaction was estimated to arise from dispersion forces.
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Ohyanagi, H.: Kagaku to Kogyo (in Japanese) 32, 921 (1979); Wesseler, E. P., Iltis, R., Clark Jr., L. C.: J. Fluorine Chem. 9, 137 (1977)
Ruelle, P., Sandorfy, C.: Theoret. Chim. Acta (Berl.) 61, 11 (1982)
Matsuoka, O., Clementi, E., Yoshimine, M.: J. Chem. Phys. 64, 1351 (1976)
Kołos, W.: Theoret. Chim. Acta (Berl.) 51, 219 (1979)
Pople, J. A.: Applications of electronic structure theory, Schaefer III,H. F. Ed., p. 1. New York: Plenum Press 1977
Moore, W. J.: Physical chemistry, 4th Ed., Englewood Cliffs: Prentice-Hall 1972; Hirschfelder, J. O., Curtiss, C. F., Bird, R. B.: Molecular theory of gases and liquids, p. 1111. New York: Wiley 1954
On theoretical researches of the dispersion force, see Lesh, A. M.: J. Chem. Phys. 59, 44 (1973); Daudey, J. P., Claverie, P., Malriew, J. P.: Int. J. Quantum Chem. 8, 1, 17, 29 (1974); Lathan, W. A., Pack, G. R., Morokuma, K.: J. Am. Chem. Soc. 97, 6624 (1975); Aida, M., Nagata, C., Ohmine, I., Morokuma, K.: J. Theor. Biol. 99, 599 (1982), Ref. 3, Ref. 4 and references cited therein
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Oikawa, S., Tsuda, M. & Nagayama, K. An ab initio theoretical research on perfluorochemicals as oxygen carriers. Theoret. Chim. Acta 64, 403–413 (1984). https://doi.org/10.1007/BF00548950
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DOI: https://doi.org/10.1007/BF00548950