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...

The detection of explosives is a challenging topic. The nitrogen-14 nuclear quadrupole resonance technique exploits the transitions between the energy levels split by the quadrupole interaction to detect the presence of explosives. It is a very promising new technique owing to its unambiguous detection and identification of explosives with low false alarm, high sensitivity and fast detection. T...

Two-dimensional exchange Cl nuclear quadrupole resonance spectroscopy for studies of the CCl3-group reorientation processes in hexachloroethane and chloral hydrate has been applied. Experimental results were interpreted on the basis of the 2D exchange nuclear quadrupole resonance theory, which takes into account the off-resonance irradiation. It has been demonstrated that 2D nuclear quadrupole ...

The Polymer Diagnostics Section (Code 6122) of the U.S. Naval Research Laboratory (NRL) has expertise in solid state nuclear magnetic resonance (NMR), magnetic resonance imaging (MRI), and nuclear quadrupole resonance (NQR). In 1983, NRL established an interagency agreement with the Federal Aviation Administration (FAA) to advise the FAA on NMR methods to detect explosives. We were aware of ear...

Nuclear quadrupole resonance (NQR) combines the spatial localization capability and convenience of metal detection or ground-penetrating radar (GPR) with the compound specific detection capability offered by chemical detection techniques. Starting in the mid-1990s, groups at Quantum Magnetics Inc. and the Naval Research Laboratory made considerable improvements in the basic scientific and instr...