Download e-book for iPad: σ and π Electrons in Organic Compounds by W. Kutzelnigg, G. Del Re, G. Berthier

By W. Kutzelnigg, G. Del Re, G. Berthier

ISBN-10: 3540054731

ISBN-13: 9783540054733

ISBN-10: 3540366555

ISBN-13: 9783540366553

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Acta 2, 134 (1964). 44) Dewar, M. J. , Hojvat, N. : J. Chem. Phys. 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.

3). Contrary to formerly accepted opinion, the lack of a n y separation of the a and ~ levels into two bands with a gap between t h e m has nothing to do with the question of the a - ~ separation as discussed in Sect. 1. I n fact, all the calculations mentioned in this context were made in the framework of the independent-particle model and a fortiori in the frame of a - ~ separation. Finally, we remark that unlike a orbitals, ~ orbitals are much less important as regards the stability of a molecule.

Chim. Acta "1, 188 (1963). , Carpentieri, ~ . : Theoret. Chim. Acta 6, 36 (1966). : Theoret. Chim. Acta "10, 13 (1968). an) Roberts, J. , Caserio, M. C. : Baaic Principles o~ Organic Chemistry. ~ e w York: B e n j a m i n 1965. 39) V a n ' t Hoff, J. : Bull. Soc. Chim. 23, 295 (1875). : J. Chem. Phys. 46, 3261 (1967). : J. Phys. Rad. 8, 397 (1937). 42) Musher, J. : J. Chem. Phys. 43, 4081 (1965); 46, 1219 (1967). 42) Gaidis, J. : J. Chem. Phys. 46, 1218 (1967). 44) Pople, J. , Untch, K. : J. Am.

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σ and π Electrons in Organic Compounds by W. Kutzelnigg, G. Del Re, G. Berthier

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