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Molecular mechanics and semiempirical molecular orbital calculations on zinc complexes with amino acid derivatives

✍ 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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πŸ“œ SIMILAR VOLUMES


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

Semiempirical molecular orbital calculat
✍ Sankar Prasad Bhattacharyya πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

## 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 metal–ligand bonds in aquo and amine complexes are also analyzed.