We investigate the effects of doping on the formation energy and concentration of oxygen vacancies at a metal-oxide surface, using MgO(100) as an example. Our approach employs density-functional theory, where the performance of the exchange-correlation functional is carefully analyzed, and the functional is chosen according to a condition on density-functional theory ionization energies. The ap...

In the title binuclear iron(III) complex, [Fe(2)(C(14)H(10)N(2)O(2))(3)]·4C(4)H(8)O or [Fe(2)(salda)(3)]·4THF [H(2)salda = 2,2'-(azinidimethyl-ene)diphenolate and THF is tetra-hydro-furan], the ligand possesses a rotationally flexible single N-N bond. Three dinucleating O,N:N',O'-donor ligands provide three diazine (=N-N=) bridges between the metal ions, yielding a binuclear triple helicate str...

Not content to wrap sheet metal around Intel microprocessors for its future server business, IBM is developing a processor it hopes will fend off the IA-64 juggernaut. Speaking at this week’s Microprocessor Forum, chief architect Jim Kahle described IBM’s monster 170-million-transistor Power4 chip, which boasts two 64-bit 1-GHz five-issue superscalar cores, a triple-level cache hierarchy, a 10-...

New types of triple-decker complexes with an organo-substituted P5 middle-deck were synthesized by the reaction of [Cp*Fe(η4-P5R)]- (1a: R = CH2SiMe3; 1b: R = NMe2) with halogeno-bridged transition metal dimers [Cp'''MX]2 (M = Cr, Fe, Co, Ni; X = Cl, Br). By oxidation of [(Cp*Fe)(Cp'''Co)(μ,η4:3-P5CH2SiMe3)] 2a with [Cp2Fe][PF6], the cationic complex [(Cp*Fe)(Cp'''Co)(μ,η5:4-P5CH2SiMe3)]+ was i...

background: the prevalence of hip dysplasia is 1 in 1000. several pelvic osteotomy methods have been developed to prevent early osteoarthritis, such as triple osteotomy. in this study we are going to introduce our new technique that was done on 4 patients with favorable short-term results.   methods: four patients underwent triple osteotomy and fixation using a reconstruction plate and early we...

purpose: to assess the results of combined penetrating keratoplasty and cataract extraction by extracapsular extraction versus phacoemulsification and to compare outcomes and complications. methods: in this interventional retrospective study, 76 eyes that had undergone triple surgery were included. cataract surgery was done in two different methods of extracapsular extraction and phacoemulsific...

Remnants of shooting stars are preserved in form cosmic spherules ice and sediments. The extraterrestrial material is heated melted upon atmospheric entry collected at the Earth's surface as spherules. A fraction (I-type spherules) sources from Fe,Ni metal. These metal particles melt become oxidized atmosphere. oxygen resulting oxides (magnetite, wüstite) entirely Here, we demonstrate that I-ty...

helicobacter pylori is the main cause of gastric ulcer, adenocarcinoma and mucosa-associated lymphoid tissue (malt) lymphoma. up to now, different regimens have been used for helicobacter pylori (h.pylori) eradication to find the most potent and cost-effective regimen with less side effects. the aim of this study was to investigate the efficacy of standard triple therapy versus quadruple therap...