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

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 wa...

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Bibliographic Details
Main Authors: Pillet, S, Souhassou, M, Lecomte, C, Schwarz, K, Blaha, P, Rérat, M, Lichanot, A, Roversi, P
Format: Journal article
Language:English
Published: 2001