In this research, the effects of HCN adsorption on the surface of the pristine, Ge, P, and GeP doped boron nitride nanotube (BNNTs) are investigated by using density function theory at the B3LYP/6–31G(d, p) level of theory. At the first step, we consider different configurations for adsorbing HCN molecule on the surface of BNNTs. The optimized models are used to calculate the structural, electr...

We report detections of J=2–1 line emission from the carbon monoxide isotopomers 13CO, C18O and C17O in the molecular clouds N159W, N113, N44BC, and N214DE in the Large Magellanic Cloud (LMC). 13CO and C18O lines were observed in two additional clouds: N159S in the LMC and N27 in the Small Magellanic Cloud (SMC). While 13CO was detected in both of them, only upper limits to the C18O line emissi...

Li3InBr6 and NaInBr4 have been synthesized and characterized by means of DTA, 8 'Br NQR, Li, Li, Na, and l l In NMR, and AC conductivity. These measurements revealed the presence of phase transitions and cationic diffusion in both compounds. From the spin-lattice relaxation times of 1 Br NQR and the peak widths of Li and Na NMR spectra, it is deduced that the conduction is due to cationic diffu...

NQR studies o f a number of molecular complexes with p-chloronitrobenzene and o-chloronitrobenzene as acceptors and different hydrocarbons as donors were carried out. A linear relationship between the NQR shift and the ionization potentials o f the donors is obtained. Maksyutin’s idea o f a positive shift with respect to acceptors having a quadrupolar nucleus is shown to hold in those systems. ...

La nuclear quadrupole resistance ~NQR! and relaxation measurements in lightly hole-doped La1.82xEu0.2SrxCuO4 have been used to investigate the microscopic properties of the low-temperature orthorhombic to low-temperature tetragonal transition. The transition is characterized by a sharp peak in La NQR relaxation rate, indicating phonon softening. We find that the structural phase transition is a...

Abstract. The northeastern US represents a mostly urban corridor impacted by high population and fossil fuel combustion emission density. This has led to historically degraded air quality acid rain that been focus of regulatory-driven emissions reductions. Detailing the chemistry atmospheric nitrate formation is critical for improving model representation quality. oxygen isotopic compositions a...

The hydration of the d(CGCGAATTCGCG) B-DNA duplex in solution was studied by nuclear magnetic relaxation dispersion (NMRD) of the water nuclei 1H, 2H, and 17O, and by nuclear Overhauser effects (NOEs) in high-resolution two-dimensional 1H NMR spectra. By comparing results from the free duplex with those from its complex with netropsin, water molecules in the "spine of hydration" in the AATT reg...

Concentrations and the stable isotopic composition of bulk aerosol nitrate (NO3?) were quantified from two GEOTRACES cruises: (a) Alaska–Tahiti (GP15; n = 22) (b) Peru–Tahiti (GP16; 17) to explore hypothesis that a marine source influences NO3? in equatorial Pacific. The ?15N-NO3? ranged ?14.5‰–0.5‰, with lowest values furthest coast, primarily reflecting shift sources. ?18O- ?17O-NO3? both rel...