The quantum topological electrostatic potential as a probe for functional group transferability

Popelier, P.L.A.; Devereux, M.; Rafat, M.

doi:10.1107/S0108767304016228

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 5
The mean absolute difference in electrostatic potential, Δ (kJ mol⁻¹), between points on a grid for each molecule of the retinal set. The reference grid is that of molecule (15), which is cis-retinal.

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ISSN: 2053-2733

Volume 60| Part 5| August 2004| Pages 427-433

doi:10.1107/S0108767304016228

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