Nitric oxide is a gaseous molecule essential to numerous biologic processes, including blood vessel relaxation, neurotransmission, host defense, and others. Some of the many unique aspects of this molecule include the mechanism by which this free radical signals via chemical reaction with protein targets as well as the complex biochemistry by which this molecule is generated and regulated. Many...

Metalated phthalocyanines (Pc's) are robust and versatile molecular complexes, whose properties can be tuned by changing their functional groups central metal atom. The electronic structure of magnesium Pc (MgPc) - structurally electronically similar to chlorophyll adsorbed on the Ag(100) surface is investigated low-temperature scanning tunneling microscopy (STM) spectroscopy (STS), non-contact...

we have performed a density functional theory investigation on the structural and electronic properties of pristine and nitrogen-doped tio2 anatase nanoparticles as the adsorbents for removal and degradation of hydrazine molecules in the environment. we have presented the most stable adsorption configurations and examined the interaction of hydrazine molecule with these doped and undoped nanopa...

The activation of carbon monoxide by oxygen on Mg(100) surface has been investigated by X-ray photoelectron spectroscopy (XPS). Carbon monoxide is only weakly adsorbed (dispersion-type forces) on a magnesium surface. The XPS result has shown that the dissociation of carbon monoxide leading to the formation of a metastable surface carbonate species occurs through the participation of an oxyg...

the storage capacity of hydrogen on na-decorated born nitride nanotubes (bnnts) is investigated by using density functional theory within quantum espresso and gaussian 09. the results obtained predict that a single na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) bnnt structures with a binding energy of -2.67 and -4.28 ev/na-atom respectively. when a si...