And nuclear quadrupole coupling constants

The existence of a linear correlation between the 33S chemical shift and nuclear quadrupole coupling constant... 

Electronic structure and nuclear quadrupole coupling constants. . . 292... 

Table 1-11. The dipole moment (in D) and nuclear quadrupole coupling constants (in MHz) for the chlorine nucleus of the (H20)2HC1 cluster...

Halogenomethanes. Several theoretical studies of the electronic structures of the halogenomethanes have been undertaken. SCF-MO calculations of the electric dipole moments and nuclear quadrupole coupling constants of a series of isoelectronic molecules including methyl chloride (FCl, HOCl, NH2CI, CH3CI) have been made and compared with the experimentally determined values. 

Table 3 Solid-state chemical shifts (5jso, chemical shift anisotropies A, asymmetry parameters rj, and nuclear quadrupole coupling constants ei qQ/h...

B3LYP level with the 6-311+- -G (d,P) standard basis set, have been used to characterize the and electric field gradient (EFG) in various bisphosphonate derivatives. The calculated EFG tensors were used to determine the and nuclear quadrupole coupling constant (y) and asymmetry parameter (/ ). For a better understanding of the bonding and electronic structure of bisphosphonates, the isotropic and anisotropic NMR chemical shieldings were calculated for the and P nuclei... 

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