Table of Contents
Crystals, Volume 6, Issue 11 (November 2016)
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Cover Story Within our research on the metal binding patterns of acyclovir (acv), we report the crystal [...] Read more. Within our research on the metal binding patterns of acyclovir (acv), we report the crystal structure of (H3O)2[Cu(N7–acv)2(H2O)2(SO4)2]·2H2O which has also been modeled by high-level DFT (left) and molecular electrostatic potential surface calculations (right). Our results highlight the role of the two H-bonding interactions between the hydronium ions, the guanine acv-moiety on the electronic properties of the novel Cu(II) complex and the depleted proton affinity of the N3-acv atom.View this paper.