𝔖 Bobbio Scriptorium
✦   LIBER   ✦

SCF MS Xα study of the electronic structure of Ax WO3 bronzes.

✍ Scribed by H. Chermette; G. Hollinger; P. Pertosa


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
474 KB
Volume
86
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


The mfluence of stoxhlometry and bond lengths on the iomzation cnerges of tungsten and oxygen states in A,WO3 compounds IS discussed. Computation 1s achieved by meansof the relatrvlstic SCF multlple scattering X-method applied to an octahedral cluster WO$6+")-embedded macublc crystal The ION& W4f level is compared to photaetectran spectra.


📜 SIMILAR VOLUMES


An MS Xα study of the electronic structu
✍ Jacques Weber 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 387 KB

Multiple scattering Xcr calculations of the electronic strocture of Os0 4 are performed using various sets of atomic spheres radii. It is shown that the use Öf overlapping atomic spheres leads to a good agreement with photoelectron and eiectronic absorption spectra.

An X-Ray and Electron Diffraction Study
✍ S.T. Triantafyllou; P.C. Christidis; Ch.B. Lioutas 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 618 KB

The average structure of the orthorhombic antimony tungsten bronze, Sb 0.16 WO 3 , has been resolved by three-dimensional single-crystal X-ray diffraction (space group Pmmm, a av ‫؍‬ 7.4261(7), b av ‫؍‬ 10.2004(15), c av ‫؍‬ 3.8061(7) A s , and Z ‫؍‬ 5). The structure refinement based on 377 observe

Electronic structure of the azide ion us
✍ C.R. Fischer; P.J. Kemmey; W.G. Klemperer 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 459 KB

The electronic structure of the azide ion is investigated using the SCF Xo scattered wave method. C&~lated ionization energies are compared with values determined by eIectron spectroscopy. Transition state calculations for nS -F ?;z, a0 and og -lr: single electron transitions yield excitation encrgi

X-Ray and Electron Diffraction Study of
✍ S.T. Triantafyllou; P.C. Christidis; Ch.B. Lioutas 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 447 KB

The crystal structure of the tetragonal sodium tungsten bronze, Na0.10WO3, was investigated by single-crystal X-ray and electron diffraction methods. The average structure has space group P4/nmm and cell constants aav ‫؍‬ 5.2492(5) A > , cav ‫؍‬ 3.8953(4) A > , and Z ‫؍‬ 2. The superstructure has sp