to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

introduction: it is believed that injury potential has a regulatory role in wound healing process and the application of exogenous electrical stimulation may serve to mimic the natural endogenous bioelectric current so that can improve the wound healing. up to now, this hypothesis has not been researched in surgically acute wounds. materials and methods: thirty nine male guinea pigs were random...

in this study, the effect of cement content on concrete performance in corrosive environments is investigated on concrete mixtures having the same water/cement (w/c) ratio. three w/c ratios (0.40, 0.45 and 0.50) were used and for each w/c ratio three mixtures were prepared with cement contents 350, 400 and 450 kg/m3. the compressive strength, electrical resistivity and chloride diffusivity of t...

in this study, the effect of cement content on concrete performance in corrosive environments is investigated on concrete mixtures having the same water/cement (w/c) ratio. three w/c ratios (0.40, 0.45 and 0.50) were used and for each w/c ratio three mixtures were prepared with cement contents 350, 400 and 450 kg/m3. the compressive strength, electrical resistivity and chloride diffusivity of t...

To investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes B16N16 was optimized with hybrid density functional theory (B3LYP) using the EPR-II basis set, then Cu, Cu+, Cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

By orbit-limited motion (OLM) theory and the kinetic model, currents carried by electronsand ions on the dust grain are obtained and the effects of temperature and drift velocity of ions on thedust grain electrical potential are considered. The calculations were performed for finding the role of densities of dust grains and ions on the dust grain electrical potential which is the ma...

Studies of the physicochemical forces involved in the transfer of ions and water across biological membranes have received great impetus from the work on the isolated frog skin by Ussing, Zerahn and Koefoed-Johnson (1, 2). This type of approach would help to define the mechanisms involved in the transfer of fluid and electrolyte across the intestine in vivo. A previous study on the large intest...

in this study, the performance of electro-coagulation in combination with aluminum sacrificial anode, in removal of zinc and copper has been investigated. several parameters, such as pollutant concentration, ph, electrical potential, cod, turbidity and contact time were studied to achieve a higher removal capacity. variable concentrations (5-50-500 ppm) of zinc and copper solutions were prepare...

Density-corrected DFT is a method that cures several failures of self-consistent semilocal DFT calculations by using a more accurate density instead. A novel procedure employs the Hartree-Fock density to bonds that are more severely stretched than ever before. This substantially increases the range of accurate potential energy surfaces obtainable from semilocal DFT for many heteronuclear molecu...