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Literature Cited
M. Krauss and W. J. Stevens, Annu. Rev. Phys. Chem.,35, 357–385 (1984).
Ph. Durand and J. C. Barthelat, Localized and Delocalized Quantum Chemistry, Vol. 2, Dordrecht, Boston (1976), pp. 91–125.
V. M. Zelenkovskii, N. A. Anikin, A. A. Bagatur'yants, and V. B. Kazanskii, in: Proceedings of the VIII All-State Conference “Physical and Mathematical Methods in Coordination Chemistry” [in Russian], Kishinev (1983), pp. 251–252.
A. A. Bagatur'yants and V. B. Kazanskii, ibid. in: Proceedings of the VIII All-State Conference “Physical and Mathematical Methods in Coordination Chemistry” [in Russian], Kishinev (1983), p. 253.
K. Ohta, Y. Yoshioka, K. Morokuma, and K. Kitaura, Chem. Phys. Lett.,101, 12–17 (1983).
V. Bonifacic and S. Huzinaga, J. Chem. Phys.,60, 2779–2786 (1974).
Y. Sakai and S. Huzinaga, J. Chem. Phys.,76, 2537–2551 (1982).
L. G. M. Pettersson, U. Wahlgren, and O. Gropen, Chem. Phys.,80, 7–16 (1983).
S. Huzinaga, M. Klobukowsky, and Y. Sakai, J. Chem. Phys.,88, 4880–4886 (1984).
L. G. M. Pettersson, U. Wahlgren, and O. Gropen, J. Chem. Phys.,86, 2176–2184 (1987).
O. V. Gritsenko, A. A. Bagatur'yants, and G. M. Zhidomirov, in: Proceedings VII All-State Conference “Physical and Mathematical Methods in Coordination Chemistry” [in Russian], Kishinev (1980), pp. 148–149.
J. Andzelm, E. Radzio, Z. Barandiaran, and L. Seijo, J. Chem. Phys.,83, 4565–4572 (1985).
R. Montagnani and O. Salvetti, Theor. Chim. Acta,70, 11–15 (1986).
S. Huzinaga, L. Seijo, Z. Barandiaran, and M. Klobukowski, J. Chem. Phys.,85, 2132–2145 (1987).
N. A. Anikin, Nonempirical Calculations of Model Catalytic Metallo-complex Systems, Candidate's Dissertation, Moscow (1984).
J. D. Petke, Chem. Phys. Lett.,126, 26–32 (1986).
N. A. Anikin, A. A. Bagatur'yants, G. V. Strashko, and V. B. Kazanskii, Zh. Fiz. Khim.,62, 75–81 (1987).
H. Tatewaki and S. Huzinaga, J. Chem. Phys.,71, 4339–4398 (1979).
T. Clark, J. Chandrasekhar, G. Spitznagel, and P. R. Schleyer, J. Comput. Chem.,4, 294–301 (1983).
J. S. Binkley, J. A. Pople, and W. J. Hehre, J. Am. Chem. Soc.,102, 939–946 (1980).
W. J. Hehre, R. F. Stewart, and J. A. Pople, J. Chem. Phys.,51, 2657–2664 (1969).
R. D. Bardo and K. J. Ruedenberg, J. Chem. Phys.,60, 918–931 (1974).
A. A. Bagatur'yants, M. B. Kuz'minskii, and G. M. Zhidomirov, Zh. Fiz. Khim.,55, 2752–2758 (1981).
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N. D. Zelinskii Organic Chemistry Institute, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 30, No. 3, pp. 3–10, May–June, 1989.
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Anikin, N.A., Bagatur'yants, A.A. & Kazanskii, V.B. Approximation of the coulomb and exchange operators in the pseudopotential method. J Struct Chem 30, 359–465 (1989). https://doi.org/10.1007/BF00751891
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DOI: https://doi.org/10.1007/BF00751891