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
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Figure 6
Variation of the magnitude of the multipole moments of the O atom in the aldehyde group in the retinal set. (a) Population, (b) dipole moment, (c) quadrupole moment.

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ISSN: 2053-2733

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

doi:10.1107/S0108767304016228

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