A new Flow Blurring multiple nebulizer (FBMN) has been used for the efficient generation of As and Se hydrides directly into the aerosol formed inside the spray chamber before detection by inductively coupled plasma optical emission spectrometry (ICP OES). The FBMN allowed the hydrides generation directly into the spray chamber without using any additional device either for solution and gases c...

An augmented valence triple-zeta basis set, referred to as G3Large, is reported for the first-row transition metal elements Sc through Zn. The basis set is constructed in a manner similar to the G3Large basis set developed previously for other elements (H-Ar, K, Ca, Ga-Kr) and used as a key component in Gaussian-3 theory. It is based on a contraction of a set of 15s13p5d Gaussian primitives to ...

BACKGROUND The majority of complex and advanced materials contain nanoparticles. The properties of these materials depend crucially on the size and shape of these nanoparticles. Wulff construction offers a simple method of predicting the equilibrium shape of nanoparticles given the surface energies of the material. RESULTS We review the mathematical formulation and the main applications of Wu...

The application of 35 GHz pulsed EPR and ENDOR spectroscopies has established that the biomimetic model complex L(3)Fe(μ-NH)(μ-H)FeL(3) (L(3) = [PhB(CH(2)PPh(2))(3)](-)) complex, 3, is a novel S = (1)/(2) type-III mixed-valence di-iron II/III species, in which the unpaired electron is shared equally between the two iron centers. (1,2)H and (14,15)N ENDOR measurements of the bridging imide are c...

Zirconium-based alloys are widely used in the field of nuclear industry as cladding for nuclear fuel in power plants. In a pressurized water reactor (PWR), boric acid is added in the coolant for reactivity control. Lithium hydroxide is added to render the coolant slightly alkaline, which helps to inhibit corrosion product deposition on the fuel cladding and reduces the corrosion rate of structu...

Hydrides of period 2 and 3 elements are promising candidates for hydrogen storage, but typically have heats of reaction that are too high to be of use for fuel cell vehicles. Recent experimental work has focused on destabilizing metal hydrides through mixing metal hydrides with other compounds. A very large number of possible destabilized metal hydride reaction schemes exist, but the thermodyna...

Product contamination by particles nucleated within the processing environment often limits the deposition rate during chemical vapor deposition processes. A fundamental understanding of how these particles nucleate could allow higher growth rates while minimizing particle contamination. Here we present an extensive chemical kinetic mechanism for silicon hydride cluster formation during silane ...