a fragment of histidine rich protein ii (hrp ii 215-236) was investigated by 14n and 17o electric field gradient, efg, tensor calculations using dft. this study is intended to explore the differences between 310-helix and α-helix of hrpii both in the gas phase and in solution. to achieve the aims, the 17o and 14n nqr parameters of a fragment of hrpii (215-236) for both structures are calculated...

A fragment of Histidine rich protein II (HRP II 215-236) was investigated by 14N and 17O electric field gradient, EFG, tensor calculations using DFT. This study is intended to explore the differences between 310-helix and α-helix of HRPII both in the gas phase and in solution. To achieve the aims, the 17O and 14N NQR parameters of a fragment of HRPII (215-236) for both structures are calculated...

cluding red giants, asymptotic giant branch (AGB) stars, massive stars, and classical novae. In particular, the ratio between reaction rates of 17O(p,α)14N (Q = 1.2 MeV) and 17O(p,γ)18F (Q = 5.6 MeV) channels on 17O is one of the most important parameters for the galactic synthesis of 17O, the stellar production of radioactive 18F, and for predicted O isotopic ratios in presolar grains. The LUN...

Nuclear Quadrupole Resonance (NQR) is effective for the detection and identification of certain types of explosives such as RDX, PETN and TNT. In explosive detection, the NQR response of certain 14N nuclei present in the crystalline material is probed. The 14N nuclei possess a nuclear quadrupole moment which in the presence of an electric field gradient produces an energy level splitting which ...

The 14N NQR from the host lattice of the thiourea-carbon tetrachloride inclusion compound. From calorimetric measurements, two phase transitions are known to occur at 67.2 K and 41.3 K in this compound. Above the 67.2 K transition, the 14N NQR spectrum consists of one resonance, though a small splitting of about 0.5 kHz is seen at temperatures up to ca. 105 K. Below the transition, the resonanc...

Zero field NMR and NQR spectra are obtained by the application of dc magnetic field pulses to a demagnetized sample. Pulsed dc fields allow for selective excitation of isotopic species and provide a means for coherent manipulation of the spin system in zero field. Using these selective pulses and level crossing techniques, indirect detection of a quadrupolar nucleus may be accomplished via prot...