𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional studies of the dipole polarizabilities of the linear polyacenes benzene through nonacene

✍ Scribed by Hinchliffe, Alan ;Nikolaidi, Beatrice ;Soscún Machado, Humberto


Book ID
111487705
Publisher
Walter de Gruyter GmbH
Year
2005
Tongue
English
Weight
208 KB
Volume
3
Category
Article
ISSN
2391-5420

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A density-functional study of the interm
✍ Meijer, Evert Jan; Sprik, Michiel 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 265 KB

We have tested the performance of three frequently used density functionals (LDA, LDA+B, and LDA+B+LYP) in a study of the intermolecular interactions of benzene. Molecular geometries are satisfactory, with the gradient-corrected density functionals yielding slightly better results. The quadrupole mo