By W. Kutzelnigg, G. Del Re, G. Berthier
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The current quantity keeps the purpose of constitution stories to give serious ac counts of all crystallographic constitution determinations. information of the association within the volumes, symbols used and so forth. are given in earlier volumes (e. g. 41B or 42A, pages vi-viii). college of Guelph, G. FERGUSON Guelph, Ontario, Canada 18 January 1986 [VI] constitution stories part III natural COMPOUNDS Edited through S.
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Chim. Acta 6, 159 (1966). 22) Pople, J. : ~. Chem. Soc. 37, $3 (1962). 2a) Amos, A. , Musher, ~. : J. Chem. Phys. 49, 2158 (1968). 24) Coulson, C. A. : Trans. ~ a r a d a y Soc. 38, 433 (1962). 2s) Lennard-~ones, ~. : Proc. ~oy. Soc. 4 202, 1, 14 (1949). 3~) Lennard-Jones, J. , Pople, J. : Proc. Roy. Soc. 4 202, 166 (19~0). 27) Hall, G. : Proc. Roy. Soc. (London) `4 ~02, 336 (1950). : Rev. Mod. Phys. 35, 457 (1963). a2) Foster, J. , Boys, S. : Rev. Mod. Phys. ~2, 300 (1960). , Ruedenberg, K. : in Q u a n t u m Theory o~ Atoms, Molecules and the Solid State, p.
34, 1232 (1961). 37 The a--z~ Separation and the Role ol Electron Correlation 45) Dewar, M. J. , Sabelli, N. : J. Phys. Chem. 66, 2310 (1962), 46) Griffith, J. : J. Chem. Phys. 36, 1689 (1962). 47) Coulson, C. , Sharma, C. : Proc. Roy. Soc. 4 272, 1 (1963). 4s) Saturno, A. , Joy, H. , Snyder, L. : J. Chem. Phys. 38, 2494 (1963). 49) Nesbet, R. : Phys. Rev. 155, 56 (1967). : Chem. Phys. Letters 1, 651 (1968). 51) Bcnder, C. : Phys. Rev. 183, 23 (1969). 52) Hermann, R. : J. Chem. Phys. 42, 1027 (1965).
8d, 540 (1962). Of course, the energy levels of the molecular orbitals are not identical with those of the AO's from which t h e y are constructed. To a first approximation, one m a y say t h a t the AO levels are split into bonding and antibomling (and possibly non-bonding) levels. Since a bonding is stronger the splitting of the a levels is supposed to be larger and the bonding and antibonding ~z levels should be closer to the zero-level t h a n the corresponding ~ levels. Actually, a n u m b e r of bonding ~ levels lie lower than bonding ~r levels, but there is no reason why all of them should lie below the bonding ~ levels.
σ and π Electrons in Organic Compounds by W. Kutzelnigg, G. Del Re, G. Berthier