𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?

✍ Scribed by Chattaraj, Pratim K.; Melin, Junia; Aparicio, Felipe; Subramanian, Venkatesan; Galván, Marcelo

Book ID
111677855
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
228 KB
Volume
108
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the quality of the hardness kernel an
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness
✍ Miquel Torrent-Sucarrat; Pedro Salvador; Paul Geerlings; Miquel Solà 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 235 KB 👁 1 views

## Abstract An approximated hardness kernel, which includes the second derivative with respect to the density of the kinetic energy, the electron–electron coulomb repulsion, and the exchange density functionals, has been tested for the calculation of the global hardness. The results obtained for a