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: Chemical Bonding and Electronic and Magnetic Structure in LaOFeAs.

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: Ab initio Study of the Magnetic Coupling in Na6Fe2S6.

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: (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: Two‐Dimensional Cu2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding.

A new Cu₂Si two‐dimensional monolayer featuring planar hexacoordinate copper and planar hexacoordinate silicon is predicted on the basis of DFT calculations and molecular dynamic simulations.     

ChemInform Abstract: Anhydrous Tin and Lead Hexacyanoferrates(II). Part 2. Electronic Structure and Chemical Bonding

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: Scaffolding,Ladders, Chains,and Rare Ferrimagnetism in Intermetallic Borides: Electronic Structure Calculations and Magnetic Ordering.

The electronic structures of “Ti_9‐nFe_2+nRu₁₈B₈” (n = 0, 0.5, 1, 2, 3), including the recently synthesized compounds Ti_9‐nFe_2+nRu₁₈B₈ (n = 1, 2), are determined by TB‐LMTO‐ASA computations.     

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: First-Principles Study of Defective and Nonstoichiometric Sr2FeMoO6.

The influence of disorder and stoichiometry-breaking point defects on the structural and magnetic properties of Sr₂FeMoO₆ is studied by electronic structure calculations within the spin-polarized GGA+U approach.     

ChemInform Abstract: First Principles Calculations of Electronic Structure and Magnetic Properties of Cr‐Based Magnetic Semiconductors Al1‐xCrxX (X: N,P, As,Sb).

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.