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Electron deformation density in titanium diboride chemical bonding in TiB2

✍ Scribed by Georg Will


Book ID
108194020
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
241 KB
Volume
177
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