𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The X-ray structure and MNDO calculations of α-terthienyl: A model for polythiophenes

✍ Scribed by Van Bolhuis, F.; Wynberg, Hans; Havinga, E.E.; Meijer, E.W.; Staring, Emiel G.J.

Book ID
123500749
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
428 KB
Volume
30
Category
Article
ISSN
0379-6779

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Model potential Xα method for the electr
Model potential Xα method for the electronic structure calculations
✍ Shinichi Katsuki; Hiroshi Taketa 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 246 KB

## Abstract A new method is presented for the electronic structure calculations with use of Bonifacic and Huzinaga's model potential and Slater's __X__α local‐statistical‐exchange potential. The density of the valence electrons and its cube root are least‐square fitted to l__s__‐type Gaussians to e

Calculations of x-ray emission spectra f
Calculations of x-ray emission spectra for sulfur dioxide by the DV-Xα method
✍ Bin Song; Hirohide Nakamatsu; Akio Shigemi; Takeshi Mukoyama; Kazuo Taniguchi 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 2 views

## X-ray emission spectra of S Kb, S and O Ka for sulfur dioxide were calculated by the discrete variational Xa L 2, 3 (DV-Xa) method. The absolute energies of the peaks in the theoretical spectra agree with the experimental values within an error of 3% . The relative energies and intensities of p