Low temperature structures of the metal oxyhalidesMOX:M= Ti, V andX= Cl, Br
نویسندگان
چکیده
منابع مشابه
Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides.
The potential energy surfaces of the group 17 XF3 (X = Cl, Br, I, At) fluorides have been investigated for the first time with multiconfigurational wave function theory approaches. In agreement with experiment, bent T-shaped C(2v) structures are computed for ClF3, BrF3, and IF3, while we predict that an average D(3h) structure would be experimentally observed for AtF3. Electron correlation and ...
متن کاملthe role of task-based techniques on the acquisition of english language structures by the intermediate efl students
this study examines the effetivenss of task-based activities in helping students learn english language structures for a better communication. initially, a michigan test was administered to the two groups of 52 students majoring in english at the allameh ghotb -e- ravandi university to ensure their homogeneity. the students scores on the grammar part of this test were also regarded as their pre...
15 صفحه اولReversible Capture and Release of Cl and Br with a Redox-Active Metal–Organic Framework
Extreme toxicity, corrosiveness, and volatility pose serious challenges for the safe storage and transportation of elemental chlorine and bromine, which play critical roles in the chemical industry. Solid materials capable of forming stable nonvolatile compounds upon reaction with elemental halogens may partially mitigate these challenges by allowing safe halogen release on demand. Here we demo...
متن کاملV"^ of Ti^v
GROWTH AND V?ELFARE LOSSES FROM CARBON EMISSIONS RESTRICTIONS: A GENERAL EQUILIBRIUM ANALYSIS FOR EGYPT* This paper is an assessment for a particular country, Egypt, of the economic effects, under various conditions, of carbon emission restrictions. Like other work, it is an exemplification of some of the economic possibilities. However, it extends the domain of possibilities and suggests some ...
متن کاملElectronic structures and optical properties of BiOX (X = F, Cl, Br, I) via DFT calculations
Based on the density functional theory (DFT), the lattice constants and atomic positions of BiOX (X = F, Cl, Br, I) species have been optimized, and the electronic and optical properties of the relaxed species have been calculated, with Bi 5d states considered or not. Relaxation generally results in the shrinkage in a and the expansion of c. Relaxed BiOCl, BiOBr, and BiOI present indirect band ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s0108767305080384