a proton nmr method for the drtermination of salvation numbers of alkaline earth cations with hexamethyl phosphoramide (hmpa) in nitromethane (nm) as diluents is described. the method is based on monitoring the resonance frequency of hmpa protons as a function of hmpa / metal ion molar ratio at constant metalion concentration. the average salvation number of cations,  , at any hmpa / metal ion ...

geometrical structure, nuclear magnetic resonance (n1,1it) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (sicnts). geometrical structures of sients, sit bonds and bond angles of st and cvertices in both zigzag and armchair nanotubes, indicate that bond lengths are appr...

theoretical investigations on the characteristics of the nuclear quadrupole resonance and the influence of the magnetic effect on it have been carried out. the magnetic dipole effect on the quadrupole resonance for the two spins i and i with different values oft) and e has been studied. the energy levels and their transition probabilities are presented with their corresponding spectra. the firs...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...