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Charge density measurement and bonding character in LiNiO2

โœ Scribed by Jiefeng Cao; Chao Guo; Huamin Zou

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
996 KB
Volume
182
Category
Article
ISSN
0022-4596

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## Abstract Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is