Semiempirical molecular orbital studies
β
Z. Latajka; M. Jarosz; M. Wierzejewska-Hnat; H. Ratajczak; Ya.M. Kimel'fel'd
π
Article
π
1978
π
Elsevier Science
β 524 KB
Properties of molecular complexes formed between methyl derc-Tatives of ethylene with HF and F2, respectively, have been evaluated by the CND0/2 and INDO methods. In the methyl derivatives of ethylene-HF hydrogen-bonded complexes both the calculated complex formation energy and the enhancement of d