ChemInform Abstract: Electronic,Magnetic Properties and Chemical Bonding in Layered Oxychalcogenides Ca4Fe2Cu2S2O6 and Ca4Fe2Cu2Se2O6 from First Principles Calculations.

Electronic and magnetic properties of the title compounds are determined by first-principle DFT (FLAPW-GGA) calculations.     

ChemInform Abstract: Pseudopotential Investigations on the Molecules Cu2Si2, Cu2Sn2, Cu4Si4, and Cu4Sn4

show the equilibrium structures to be the butterfly arrangement for the Cu₂X₂ clusters and the heterocubane arrangement for the Cu₄X₄ clusters.     

ChemInform Abstract: The New Misfit Compound (BiSe)1.15(TiSe2)2 and the Role of Dimensionality in the Cux(BiSe)1+δ(TiSe2)n Series.

Single crystals of (BiSe)_1.15(TiSe₂)₂ and (BiSe)_1.13(TiSe₂) are prepared from Bi, Ti, and Se in the molar ratio1:1:3 by vapor transport with TeCl₄ as transport agent (750—680 °C, 7 d).     

ChemInform Abstract: (Cu2S2)(Sr3Se2O5) — A Layered,Direct Band Gap,p‐Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Identification of Novel Cu,Ag, and Au Ternary Oxides from Global Structural Prediction.

Ab initio global structural prediction and specifically, the minima hopping method combined with high‐throughput calculations are used to explore the periodic table in search of novel oxide phases.     

ChemInform Abstract: Bulk and Surface Electronic Structure of the Layered Sub‐Nitrides Ca2N and Sr2N.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Growth Characteristics of CVD β-Silicon Carbide.

β-SiC films on graphite substrates are grown by low pressure CVD from MeSiCl₃ vapor in flowing H₂ and the microstructure of the resulting deposits is investigated by XRD, SEM, and TEM.     

ChemInform Abstract: Y2AlGe3 - A Superconductive Metallic Zintl Compound.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Ln2XCHy: Condensed Clusters with Two Different Interstitial Atoms.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: The Crystal Structure of In3Mo11O17 and the Physical Properties of Oligomeric Oxomolybdates.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Determination of Oxygen Nonstoichiometry and Diffusivity in Mixed Conducting Oxides by Oxygen Coulometric Titration. Part 1. Chemical Diffusion in La0.8Sr0.2CoO3-δ.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: High Pressure Superconducting Phase of BI3: An ab initio Study.

The high pressure crystal structure of BI₃ with space group P2₁/c consisting of B₂I₆ dimers is determined using an ab initio evolutionary algorithm for crystal structure prediction in conjunction with density functional theory.     

ChemInform Abstract: Magnetic and Electronic Properties of CaCu3Cr4O12 and CaCu3Cr2Sb2O12 by First‐Principles Density Functional Calculation.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: First-Principles Calculation of Electronic,Optical, and Structural Properties of α-Al2O3

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.