Fig. 5
From: Organochlorinated pesticides expedite the enzymatic degradation of DNA
Computational results of hexachlorocyclohexane (HCH) binding to bases. Representative image of the gradient isosurface (left), the corresponding plots of reduced density gradient versus the sign of the second Hessian eigenvalues (right) of a adenine–α-HCH, b cytosine–α-HCH, c guanine–α-HCH, d thymine–α-HCH, together with the molecular orbitals of e DNA bases–α-HCH, f DNA bases–β-HCH, and g DNA bases–γ-HCH. The surfaces are colored on a blue–green–red scale according to the sign(λ2)ρ values (range −0.05 to 0.05 a.u.). Green areas between molecules indicate a weak Van der Waals force. Large brown and olive spheres represent the positive and negative phases, respectively, of the electronic wave function
