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Molecular orbital study of cyanide complexes of BX3 and AlX3 (X = hydrogen, methyl, fluorine and chlorine)

✍ Scribed by Marynick, Dennis S.; Throckmorton, Linda; Bacquet, Russell


Book ID
127283945
Publisher
American Chemical Society
Year
1982
Tongue
English
Weight
595 KB
Volume
104
Category
Article
ISSN
0002-7863

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Semiempirical molecular orbital studies
✍ Z. Latajka; M. Jarosz; M. Wierzejewska-Hnat; H. Ratajczak; Ya.M. Kimel'fel'd πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science βš– 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