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Figure 5
View of the three-dimensional Hirshfeld surface of (I)[link] plotted over electrostatic potential energy in the range −0.0500 to 0.0500 a.u. using the STO-3 G basis set at the Hartree–Fock level of theory. The hydrogen-bond donors and acceptors are viewed as blue and red regions, respectively, around atoms, corresponding to positive and negative potentials.

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ISSN: 2056-9890
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