Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of l-histidinium dihydrogen orthophosphate orthophosphoric acid. I

Mata, I.; Espinosa, E.; Molins, E.; Veintemillas, S.; Maniukiewicz, W.; Lecomte, C.; Cousson, A.; Paulus, W.

doi:10.1107/S0108767306025141

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 7
Electron-density difference between models in the same plane as in Fig. 6

: (a) $[\Delta\rho = \rho(\hbox{XL-Nb}) - \rho(\hbox{XL-{A}})]$ and (b) $[\Delta\rho = \rho(\hbox{XL-Na}) - \rho(\hbox{XL-Nb})]$ . Contour intervals are 0.05 e Å⁻³. Solid and broken lines represent positive and negative contours, respectively. The zero contour is represented by dotted lines.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 62| Part 5| August 2006| Pages 365-378

doi:10.1107/S0108767306025141

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