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• W1971456376 endingPage "10204" @default.
• W1971456376 startingPage "10193" @default.
• W1971456376 abstract "An X-ray crystallographic study on the product of the coupling reaction of 2 and 3, revealed suprisingly that the product was cis-dialdehyde 5, rather than trans-dialdehyde 4. Dialdehyde 5 was employed in the synthesis of a new bis-manganese water-splitting complex, originally formulated as the hydrated derivative of 1. However, the structure of the manganese complex derived from 5 should be revised to the hydrated complex of 7. A molecular mechanics force field was developed and employed to model both the originally proposed bis-manganese complex 1 and the revised structure 7. Related manganese complexes were also modelled with reasonable accuracy compared to their X-ray crystal structures." @default.
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• W1971456376 date "1996-07-01" @default.
• W1971456376 modified "2023-09-23" @default.
• W1971456376 title "MM2 force field parameterisation, modelling and structure prediction of salen-type monomeric and hydrogen-bonded dimeric manganese complexes" @default.
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• W1971456376 doi "https://doi.org/10.1016/0040-4020(96)00554-6" @default.
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