Electron-density distribution of a nitrite ion was calculated by the ab initio molecular-orbital method using STO-3G, STO-6G, MIDI4 and MIDI4* basis sets. The N-O bonding peak, which was observed in the experimental deformation density of LiNO2.H20, could be reproduced only by using the MIDI4* basis set. This indicates the importance of polarization functions in the study of charge distribution.
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