Yuan-Jun Che

Hydration induced coordination transition and interaction mechanism of Na+ with adenine deoxyribonucleotide in microhydrated clusters.

The coordination behavior and non-covalent interactions in adenine deoxyribonucleotide (Adn)-Na+ clusters with up to five water molecules are systematically investigated. Three distinct conformations of the anhydrous Adn-Na+ cluster were identified. Detailed structural analysis revealed that the central conformation is...