Oxygen binding to manganese porphyrin. An ab initio calculation
β Scribed by Dedieu, A.; Rohmer, M. M.
- Book ID
- 126869774
- Publisher
- American Chemical Society
- Year
- 1977
- Tongue
- English
- Weight
- 295 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
## Abstract Minimalβbasisβset gradientβSCF calculations on oxomanganese porphyrin chloride in which the oxygen atom bridges a metalβnitrogen bond (__C~s~__ structure) are reported. In comparison with the earlier reported results of similar calculations on a __C__~4__v__~ structure, a lower energy i
An ST0/3G study of the binding of alkali cations to dimcthylether is performed. The study of the conformation of free l%xown4 nad of its Li+complex indicates that D moditicstion of the conformation of the polyether accompanies the co\_mplcxation.