𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electron structure of the V2molecule derived from DV-Xα data

✍ Scribed by V. D. Fursova; A. P. Klyagina; A. A. Levin; G. L. Gutsev

Book ID
112445034
Publisher
Springer
Year
1985
Tongue
English
Weight
231 KB
Volume
34
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic structures of d0 complexes by
Electronic structures of d0 complexes by the DV-Xα method
✍ Takeshi Mukoyama; Hirohiko Adachi 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 260 KB

The electronic structures of TcOr , RuO,, ReOi and 0~0~ have been studied using the discrete-variational Xcz molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.

An accurate DV Xα investigation of the e
An accurate DV Xα investigation of the electronic structure of bis (2,4-pentanedionato) palladium(II)
✍ M. Casarin; A. Vittadini; G. Granozzi; I. Fragalà; S.Di bella 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 339 KB

Several numerical calculations within the discrete variational Xru framework have been carried out on bis(2,4\_pentanedionato)palladium( II) in order to find the best basis set and potential representation. Theoretical results have been compared with recently published ab initio calculations and UV