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Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project.

Abstract:: This electron-density study on corundum (alpha-Al2O3) is part of the Multipole Refinement Project supported by the IUCr Commission on Charge, Spin and Momentum Densities. For this purpose, eight different data sets (two experimental and six theoretical) were chosen from which the electron density was derived by multipolar refinement (using the MOLLY program). The two experimental data sets were collected on a conventional CAD4 and at ESRF, ID11 with a CCD detector, respectively. The theoretic...
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Publication status:: Published

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APA Style

Pillet, S., Souhassou, M., Lecomte, C., Schwarz, K., Blaha, P., Rérat, M., Lichanot, A., & Roversi, P. (2001). Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project. Acta Crystallographica. Section A, Foundations of Crystallography, 57(Pt 3), 290–303.

MLA Style

Pillet, S., et al. “Recovering Experimental and Theoretical Electron Densities in Corundum Using the Multipolar Model: IUCr Multipole Refinement Project.” Acta Crystallographica. Section A, Foundations of Crystallography, vol. 57, no. Pt 3, 2001, pp. 290–303.

Chicago Style

Pillet, S, M Souhassou, C Lecomte, K Schwarz, P Blaha, M Rérat, A Lichanot, and P Roversi. 2001. “Recovering Experimental and Theoretical Electron Densities in Corundum Using the Multipolar Model: IUCr Multipole Refinement Project.” Acta Crystallographica. Section A, Foundations of Crystallography 57 (Pt 3): 290–303.
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Publisher copy:: 10.1107/s0108767300018626

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+ Pillet, S More by this author

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+ Souhassou, M More by this author

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+ Lecomte, C More by this author

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+ Schwarz, K More by this author

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+ Blaha, P More by this author

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Bibliographic Details

Journal:: Acta crystallographica. Section A, Foundations of crystallography
Volume:: 57
Issue:: Pt 3
Pages:: 290-303
Publication date:: 2001-05-01
DOI:: 10.1107/s0108767300018626
EISSN:: 1600-5724
ISSN:: 0108-7673

Item Description

Language:: English
Pubs id:: pubs:7950
UUID:: uuid:3a5ad61a-34b6-40bc-a8a5-0be042f18c3b
Local pid:: pubs:7950
Source identifiers:: 7950
Deposit date:: 2012-12-19

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Copyright date:: 2001

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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