In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...

This study investigates the removal of tungsten from simulated water using biopolymer coated particles (i.e. chitosan coated clay) and natural clay. The effects of initial tungsten concentration (from 20 to 500 ppm) and water pH (4, 5.5 and 6.4) on zeta potential and tungsten removal were studied for both chitosan coated clay and natural clay. It was found that the net surface charge of natural...

Experimental investigations of photoinduced charge transport in synthetic DNA capped hairpins possessing electron acceptor and donor stilbene chromophores at either end have established the mechanism, dynamics, and efficiency of charge transport in DNA. The mechanism for charge transport in repeating A-T base pairs (A-tracts) was found to change from single-step superexchange at short distances...

Comparison of two commonly used techniques for molecular weight determination of natural organics, ultrafiltration (UF) fractionation and high-performance size exclusion chromatography (SEC), shows that neither technique gives absolute measures of molecular weight. Investigations of International Humic Substances Society standard humic and fulvic acids as well as natural organic matter concentr...

Rough estimates and upper limits on current and particle densities form the basis of most of the canonical pulsar models. Whereas the surface of the rotating neutron star is capable of supplying sufficient charges to provide a current that, given the polar cap potential, could easily fuel the observed energy loss processes, observational and theoretical constraints provide strict upper limits t...

In this work, by using density functional theory, the adsorption of Nitramide (NH2NO2) molecule on the surface of pristine, B, As and B&As doped (4,4) armchair aluminum nitride nanotube (AlNNTs) is investigated. From optimized structures the adsorption energy, deformation energy, natural bond orbital (NBO), atom in molecule (AIM), quantum parameters, reduced density gradient (RDG) and molecular...

In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...

DFT calculations were applied to evaluate the electronic and magnetic properties of zigzag BC2Nnanotubes based on the 13C, 15N, and 11B NMR parameters and natural charge analysis. Weconsidered three types of zigzag nanotubes, ZZ-1, ZZ-2, and ZZ-3 (n, 0) with n = 8, 12, and 14. Theobtained results indicated the divisions of the electrostatic environments around C nuclei into a fewlayers, consist...

soil colloid particles influence soil chemical and physical properties by their surface electrical charge. with respect to the importance of this issue from both agricultural and environmental points of view, charging behavior of a kaolinite sample was studied in the ph range of 4 to 10 and at three background electrolyte concentrations, including 0.005, 0.05, 0.5 m nacl, by potentiometric titr...