hydrogen is considered as a unique choice for future world’s resources. the important parameter in the process of hydrogen production is the value of reduction potential for the used catalyst, in direct contact with consumed energy in process. the application of computational methods to design and modify molecular catalysts is highly regarded. this study sought to explore density functional the...

Hydrogen is considered as a unique choice for future world’s resources. The important parameter in the process of hydrogen production is the value of reduction potential for the used catalyst, in direct contact with consumed energy in process. The application of computational methods to design and modify molecular catalysts is highly regarded. This study sought to explore Density Functional...

the main problem of solid waste management system in tehran is to handle a large amount of waste (7.641 ton/day in 2008). therefore, source reduction can be introduced as one of the first priority for solid waste management in tehran. this research represents the first attempt to quantify the source reduction potential in the city, and subsequently, outlines the principle guidelines, legislatio...

Nanostructures are commonly used for developing superhydrophobic surfaces. However, available wetting theoretical models ignore the effect of vacuum photon-mode alteration on van der Waals forces and thus on hydrophobicity. Using first-principles calculations, we show that superhydrophibicity of nanostructured surfaces is dramatically enhanced by vacuum photon-mode tuning. As a case study, wett...

the green synthesis of metallic nanoparticles is an active research area in nanotechnology. in the present study, antioxidant potential, total reducing capacity and silver nanoparticles (ag nps) synthetic potential of methanolic leaf extracts of seven plant species were evaluated and compared. antioxidant capacity, expressed as µmol trolox equivalents g-1 dw (µmol te g-1 dw), ranged from 116.0 ...

The origins and development of the electronegativity concept as an empirical construct are briefly examined, emphasizing the confusion that exists over the appropriate units in which to express this quantity. It is shown how to relate the most reliable of the empirical scales to the theoretical definition of electronegativity in terms of the quantum potential and ionization radius of the atomic...

It is often found that the characteristic patterns obtained from redox potential measurements in metabolic studies are invalidated by possible variations in the media as well. Consequently the patterns so obtained do not give a true picture of the metabolism, and therefore do not reflect properly the manifestations of life. Experiments were carried out to show the extent of these variations, an...