The nitrogen nuclear quadrupole coupling in borazine is reported and interpreted in combina­ tion with the previously measured boron coupling. A novel Townes-Dailey type of analysis was employed to obtain the electron distribution in borazine. A calculated rc-donation of ~ 0.5 e from the nitrogen atom to the vacant rc-orbital of boron is accompanied by a strong polarisation of the er-skeleton, ...

We study the excited energy of the isoscalar giant quadrupole resonance with the scaling method in the relativistic many-body framework. In this calculation we introduce the momentum-dependent parts of the Dirac self-energies arising from the one-pion exchange on the assumption of the pseudo-vector coupling with nucleon field. It is shown that this momentumdependence enhances the Landau mass si...

A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH3). The method extends the general variational approach TROVE [J. Mol. Spectrosc. 245, 126-140 (2007)] by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number ...

Relativistic Dirac-Coulomb (DC) Hartree-Fock calculations are employed to obtain the analytic electric field gradient (EFG) on the antimony nucleus in the SbN, SbP, SbF, and SbCl molecules. The electronic correlation contribution to the EFGs is included with the DC-CCSD(T) and DC-CCSD-T approaches, also in the four-component framework, using a finite-difference method. The total EFG results, al...

In this paper, we review the roles of collective modes in nuclear reactions. We emphaize the strong couplings of various collective states with the monopole and quadrupole motions. In inelastic excitation, these couplings can be seen as an important source of anharmonicity in the multiphonon spectrum. In fusion reaction, the breathing and quadrupole motions strongly affects the oscillation of p...

Z. Naturforsch. 41 a, 1302-1306 (1986); received August 7, 1986 The microwave ground state spectra of tert.-butyl isocyanide, (CH3)3CNC, and phenyl isocyanide, C6H 5NC, have been measured by microwave Fourier transform spectroscopy in the region 5.0 to 8.0 GHz and analysed for nuclear quadrupole hyperfine splitting due to ‘*N. The nuclear quadrupole coupling constants are shown to be in accorda...

Analysis of recent measurements of striking changes in the rate of ortho-para conversion of solid H(2) up to 58 GPa shows that the conversion mechanism must differ from that at ambient pressure. A new conversion mechanism is identified in which the emerging excitations are coupled to the converting molecules via electric quadrupole-quadrupole rather than nuclear spin-spin interactions. The latt...

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were ...

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were ...