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Original Articles

Cation—π and Amino-Acceptor Interactions Between Hydrated Metal Cations and DNA Bases. A Quantum-Chemical View

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Pages 1087-1096 | Received 06 Dec 1999, Published online: 15 May 2012

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  • The magnesium hexahydrate—cytosine geometries shown by the calculations are more favorable than those observed in the crystal. It is because the structure obtained by the constrained gradient optimization is obviously the structure with the lowest energy assuming these constraints; other structures are necessarily higher in energy

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