Molecular mechanics and semiempirical molecular orbital calculations on zinc complexes with amino acid derivatives
β Scribed by P.C. Yates
- Book ID
- 113257920
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 662 KB
- Volume
- 281
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
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
## Abstract A comparative analysis is carried out on the strengths of binding of a series of transition metal ions to a water molecule using CNDO type MO theory developed earlier. Comparative features of the energetics of metalβligand bonds in aquo and amine complexes are also analyzed.