Literature cited
A. E. Smolyar, O. P. Charkin, and N. M. Klimenko, Zh. Strukt. Khim.,15, 933 (1974).
V. G. Zakzhevskii, O. P. Charkin, A. E. Smolyar, T. S. Zyubina, and N. M. Klimenko, Zh. Strukt. Khim.,17, 763 (1976).
J. M. Foster and S. F. Boys, Rev. Mod. Phys.,32, 300, (1960); S. F. Boys, Quantum Theory of Atoms, Molecules and the Solid State (edited by P.-O. Lowdin), Acad. Press, New York, London, 1966, p. 253.
R. J. Gillespie, Molecular Geometry [Russian translation], Mir, Moscow (1975).
P. E. Rundle, J. Am. Chem. Soc.,85, 112 (1963).
C. Edmiston and K. Ruedenberg, Rev. Mod. Phys.,35, 457 (1965).
P. S. Bagus, B. Liu, and H. F. Schaefer, J. Am. Chem. Soc.,94, 6635 (1972).
P. S. Bagus, B. Liu, D. H. Liskow, and H. F. Schaefer, J. Am. Chem. Soc.,97, 7216 (1975).
S. R. Ungemach and H. F. Schaefer, Chem. Phys. Lett.,38, 407 (1976).
B. Roos and P. Siegbahn, Theor. Chim. Acta17, 209, 199 (1970).
A. E. Smolyar, A. I. Boldyrev, O. P. Charkin, et al., Zh. Strukt. Khim.,17, 214 (1976).
R. S. Mulliken and B. Liu, J. Am. Chem. Soc.,93, 6738 (1971).
A. A. Strich and A. Veillard, J. Am. Chem. Soc.,95, 5574 (1973).
A. Serafini, J. F. Labarre, A. Veillard, and G. Vinot, J. Chem. Soc. Chem. Commun., 966 (1971).
U. Gelius, B. Roos, and P. Siegbahn, Chem. Phys. Lett.,4, 471 (1970).
A. Breeze, D. W. J. Cruickshank, and D. R. Armstrong, J. Chem. Soc., Faraday Trans. II,68, 2144 (1972).
O. P. Charkin, A. E. Smolyar, and N. M. Klimenko, Zh. Strukt. Khim.,19, 130 (1978).
D. W. Magnuson, J. Chem. Phys.,24, 344 (1956).
Additional information
Institute for New Chemical Problems, Academy of Sciences of the USSR. M. V. Lomonosov Moscow Institute of Fine Chemical Technology. Translated from Zhurnal Strukturnoi Khimii, Vol. 19, No. 3, pp. 387–392, May–June, 1978.
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Smolyar, A.E., Zuev, M.B., Klimenko, N.M. et al. Localized MO in molecules of chlorine fluorides from the results ofab initio calculations. J Struct Chem 19, 337–341 (1978). https://doi.org/10.1007/BF00753255
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DOI: https://doi.org/10.1007/BF00753255