References
- Pople , J.A. and Segal , G.A. 1966 . J. chem. Phys. , 44 : 3289 – 3289 . (b) Pople, J. A., and Beveridge, D. L., 1970, Approximate Molecular Orbital Theory (McGraw-Hill).
- England , W. and Gordon , M.S. 1971 . J. Am. chem. Soc. , 93 : 4649 – 4649 .
- Fischer , H. and Kollmar , H. 1970 . Theor. Chim. Acta , 16 : 163 – 163 .
- Schoeller , W.W. 1975 . J. Am. chem. Soc. , 97 : 1978 – 1978 . 1977, Ibid., 99, 5919; (b) Schoeller, W. W., J. chem. Soc. (Perkin II), in the press.
- Dewar , M.J.S. and Haselbach , E. 1972 . J. Am. chem. Soc. , 92 : 590 – 590 . (b) see also Dewar, M. J. S., and Lo, D. H., 1971, J. Am. chem. Soc., 93, 7201.
- McWeeny , R. 1974 . Molec. Phys. , 28 : 1273 – 1273 .
- Dewar , M.J.S. and Trinajstic , N. 1971 . J. chem. Soc. A , : 1220 – 1220 . the first sign in formula (2) must be negative; (b) Diercksen, G., 1968, Int. J. quant. Chem., 2, 55; (c) for a generalization of this method see Ellison, F. O., and Matheu, F. M., 1971, Chem. Phys. Lett., 10, 322.
- Hoffmann , R. 1968 . J. Am. chem. Soc. , 90 : 1475 – 1475 .
- Horsley , J.A. , Jean , Y. , Moser , C. , Salem , L. , Stevens , R.M. and Wright , J.S. 1972 . J. Am. chem. Soc. , 94 : 279 – 279 . The inclusion of more configuration interaction (15 ¢ 15 CI) has no effect on the rotational barrier in this type of biradicals (Segal, G. A., 1974, J. Am. chem. Soc., 96, 7892.
- Hay , P.J. , Hunt , W.J. and Goddard , W.A. III . 1972 . J. Am. chem. Soc. , 94 : 638 – 638 .
- Lowe , J.P. 1974 . J. Am. chem. Soc. , 96 : 3759 – 3759 .
- Cremer , D. , Binkley , J.S. , Pople , J.A. and Hehre , W.J. 1974 . J. Am. chem. Soc. , 96 : 6900 – 6900 .