CNDO/2 calculations of intermolecular in
CNDO/2 calculations of intermolecular interactions in chlorine-ethylene and bromine-ethylene systems
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N.F. Stepanov; O.E. Grikina; G.B. Sergeev; V.V. Smirnov
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Article
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1978
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Elsevier Science
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SCF-MO-LCAO CND0/2 calculations have been performed for 1:l molecular complexes of ethylene with chlorine and bromine. The calculations predict for the chloro compound a structure with the Cl2 molecule normal to the ethylene pIane and positioned above the centre of the double bond. A number of str