The results of a solid-state (11)B NMR study of a series of 10 boronic acids and boronic esters with aromatic substituents are reported. Boron-11 electric field gradient (EFG) and chemical shift (CS) tensors obtained from analyses of spectra acquired in magnetic fields of 9.4 and 21.1 T are demonstrated to be useful for gaining insight into the molecular and electronic structure about the boron...

................................................................................................................................... iv 1.0 Introduction ...................................................................................................................... 1 2.0 Basic Concepts in Radiation Protection and Shielding .................................................... 1 2.1 Shieldin...

Solid-state Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal Mo NMR experiments. Within a molecular approach, the effects of major computational param...

background: monte carlo simulations play a vital role in the calculation of the necessary shielding both for neutrons and photons. advanced and simple shielding materials against neutron and gamma rays were compared by simulation using the mcnb4b monte carlo code. the simulations were carried out for the three common neutron sources, namely the 252cf, the 241am/be and the dd neutron generator w...

Uncontrolled exposure to X-band frequency leads to health damage. One of the principles of radiation protection is shielding. But, conventional shielding materials have disadvantages. Therefore, studies of novel materials, as an alternative to conventional shielding materials, are required to obtain new electromagnetic shielding material. Therefore, this study investigated the electromagnetic s...

Chelating is the chemical process by which a mineral (iron, cobalt, copper, zinc, and manganese) is combined with a mixture of amino acids and peptides. The resulting substances are known as chelates. Another descriptive term, proteinates, refers to the amino acid bond. These chelated minerals are thought to be more digestible than nonchelated forms. In other words, chelation makes the minerals...

A modified Freeman-Murray-Richards (FMR) correlation for the analysis of 59C0 NMR shielding parameters, 6(59C0) us. ( A V ~ , ~ ) ' / ' / A E ~ ~ , is formulated by combining the Ramsey shielding theory and the Townes and Dailey theory for the calculation of the nuclear quadrupole coupling constant. It is demonstrated that the experimental 59C0 NMR half-height linewidth is a useful parameter to...

Chelating is the chemical process by which a mineral (iron, cobalt, copper, zinc, and manganese) is combined with a mixture of amino acids and peptides. The resulting substances are known as chelates. Another descriptive term, proteinates, refers to the amino acid bond. These chelated minerals are thought to be more digestible than nonchelated forms. In other words, chelation makes the minerals...

13C chemical shielding tensors in three oxalates were investigated in order to determine the effe~ts of protonation and conformation changes on the tensor elements and their orientations. The expenmental results. together with those in the accompanying paper [R. G. Griffin and D. J. Ruben, J. Chern. ~hys. 63, 1272 (1975)], indicate that, while neither of these factors seems to seriously effect ...

We investigate the nature of higher-order effects arising in solid-state nuclear magnetic resonance ~NMR! when quadrupolar nuclei are subject to significant chemical shift anisotropies. It is shown that the quadrupole interaction can give rise to shielding-derived terms that are not entirely averaged away by conventional magic-angle spinning ~MAS!. These terms are proportional to the square of ...