Chemical forces in terms of the electron density
✍ Scribed by J. Fernández Rico; R. López; I. Ema; G. Ramírez
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 557 KB
- Volume
- 118
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
A long-term aim in density functional theory is to obtain the kinetic Ž . Ž . Ž . energy density t r in terms of the ground-state electron density r . Here, t r is Ž . written explicitly in terms of r for an arbitrary number N N of closed shells in a bare Ž . Coulomb field. In the limit as N N ª ϱ,
## Abstract In this study, the two small molecules HS(CH)(CH~2~), **1**, and F(CH)~4~F, **2**, are presented, which yield different chemical interpretations when __one and the same__ density is interpreted either by means of Natural Bond Orbital and subsequent Natural Resonance Theory application o