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13.

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P. Schuster, in "The Hydrogen Bond", P. Schuster, G. Zundel
and C. Sandorfy, editors, Vol. I. Ch. 2, North Holland
Pablishing Co., 1976.

See note addsiin proof, p. 154 in Ref. 12.
in Ref. 11.

H. Umeyama and K. Morokuma, J.Am.Chem.Soc. 99:1316 (1977).

A. T. Hagler, E. Huler and S. Lifson, J.Am.Chem.Soc. 96:5319
(1974).

See R. Fletcher, Computer J. 10:392 (1968); also Ref. (21)
page 585.

R. Fletcher and C. M. Reeves, Cogputer J. 7:149 (1964).

G. Herzberg, "Molecular Spectra and Molecular Structure",

Vol. II, "Infrared and Raman Spectra of Polyatomic
Molecules", Van Nostrand Co., New York (1945).

E. B. Wilson Jr., J. C. Decius and P. C. Cross, "Molecular
Vibrations" McGraw—Hill, New York (1955).

S. Lifson and A. Warshel,_g;§hem.Pth. 4925116 (1968).

A. Warshel and S. Lifson, J.Chem.Phys. 53:582 (1970).

See, for example, T. L. Hill, "An Introduction to Statistical
Thermodynamics", Addison—Wesley Inc. (1960).

A. T. Hagler, S. Lifson and P. Dauber, J.Am.Chem.Soc. 101:5122
(1979). ‘

The nonrlinear least squares method is originally due to

D.W. Marquardt, J.SIAM, 112431 (1963); for its various
applications to CFF see Ref. (20); Ref. (21); A. T. Hagler
and S. Lifson, Acta Cristallogr.8 30:619 (1974);

S. Lifson and M. Levitt, Computers and Chem. 3:49 (1979).

. Ermer and S. Lifson, J.Am.Chem.Soc. 95:4121 (1973).

. Warshel, M; Levitt and S. Lifson, J.Mb1;§pect. 33:84 (1970).

. T. Hagler, P. Dauber and S. Lifson, J.Am.Chem.Soc. 101:5131

(1979).

F. A. MOmany, L. M. Carruthers, R. F. MCGuire and
H. A. Scheraga, J.Phys.Chem. 78:1595 (1974).

L. A. Dunfield, A. W. Burgess and H. A. Scheraga, J.Phys.Chem.
82:2609 (1978).

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