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Dependence of the directions of C6-dehydrocyclization of n-octane on the distribution of electron density in the molecule

โœ Scribed by I. I. Levitskii; Kh. M. Minachev; E. A. Udal'tsova


Book ID
112421578
Publisher
Springer
Year
1973
Tongue
English
Weight
563 KB
Volume
22
Category
Article
ISSN
1573-9171

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The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut