density functional theory (dft) based calculations have been performed to examine the relaxations of tautomers of 4–hydroxy–6–methylpyridin–2(1h)–one (mpo), as a representative of pyridinone derivatives, at the fullerene (c60) surfaces. optimized molecular properties including energies, dipole moments and atomic scale quadrupole coupling constants (cq) have been evaluated to investigate the str...

the analysis of the 27al and 35cl quadrupole coupling parameters of aluminum methyl chloride dimers were carried out on the basis of the density functional theory (dft). the available experimental values of quarupole coupling constants were compared with their calculated ones. in this investigation, the correlations were made between calculated 27al and 35cl nuclear quadrupole coupling constant...

The analysis of the 27Al and 35Cl quadrupole coupling parameters of aluminum methyl chloride dimers were carried out on the basis of the density functional theory (DFT). The available experimental values of quarupole coupling constants were compared with their calculated ones. In this investigation, the correlations were made between calculated 27Al and 35Cl nuclear quadrupole coupling constant...

Cocrystals of 4,4'-bipyridyl and several carboxylic acids were grown from the methanol solution of the cocrystal formers. Complete (14)N NQR spectra of these cocrystals have been measured using (1)H-(14)N nuclear quadrupole double resonance. The principal values of the quadrupole coupling tensor are calculated from the (14)N NQR frequencies. A large variation in the (14)N quadrupole coupling co...

By single crystal NMR the nuclear quadrupole coupling constants eQ,.h~ (H), the asymmetry parameters >/(H) and the dircetion cosines of the principal axes of the electric field gradient tensors of the H atoms of the two kinds of D 2 0 molecules have been determined at 295 K in RbAl(S04)2 • 1 2 D 2 0 . The results show that the D 2 0 molecules surrounding the ion Al + are "static" within the ...

The electric-quadrupole coupling constant of the ground states of the proton drip line nucleus 20Na(Iπ = 2+, T1/2 = 447.9 ms) and the neutron-deficient nucleus 21Na(Iπ = 3/2+, T1/2 = 22.49 s) in a hexagonal ZnO single crystal were precisely measured to be |eqQ/h| = 690 ± 12 kHz and 939 ± 14 kHz, respectively, using the multi-frequency β-ray detecting nuclear magnetic resonance technique under p...

The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. Th...

The electric quadrupole coupling constant of the ground state of 37K(Iπ = 3/2+, T1/2 = 1.22 s) in a tetragonal KH2PO4 single crystal was measured to be |eqQ/h| = 2.99± 0.07 MHz using the β-ray detecting nuclear quadrupole resonance technique. The electric quadrupole moment of 37K was determined to be |Q(37K)| = 10.6 ± 0.4 efm2, where the known electric quadrupole coupling constant of stable 39K...

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