Nuclear magnetic resonance and the

Urry, D. W. Nuclear magnetic resonance and the conformation of membrane-active peptides. In Enzymes of Biological Membranes, Vol. 1, (ed. Martonosi, A ), p. 31, Plenum Publishing Corp., New York 1976... 

P. T. Callaghan 1999, (Rheo-NMR nuclear magnetic resonance and the rheology of complex fluids), Rep. Prog. Phys. 62, 599-670. 

Before we proceed to explore the mobility of water and solids in foods, as examined by water activity, nuclear magnetic resonance, and the glass transition, we need to pause and appreciate the complex nature of the systems that we are attempting to investigate. 

Carbon-13 Nuclear Magnetic Resonance and the Conformations of Biological Molecules ... 

Pulse techniques are fairly well developed for nuclear magnetic resonances, and the experimental requirements are less restrictive for nitrogen quadrupole resonance than for standard proton resonance in solids, so we shall not describe them here. 

Seehg J. P Nuclear magnetic resonance and the head group structure of phospholipids in membranes. Biochim. Biophys. Acta 1978 515 105-140. 

There are several other techniques to measure magnetic susceptibility, including nuclear magnetic resonance and the Faraday method using an unsymmetrical magnetic field. ... 

Aspects of Nuclear Magnetic Resonance and the Coordinate Covalent Bond... 

Dave, V., Stothers, J. B., Warnhoff, E. W. Ring expansion of cyciic ketones the reiiabie determination of migration ratios for 3-keto steroids by carbon-13 nuclear magnetic resonance and the general implications thereof. Can. J. Chem. 1979, 57,1557-1568. 

To study the magnetic properties of matter one would often like to be able to obtain information on the currents in the system and their coupling to possible external magnetic fields. Important classes of experiments for which this information is relevant are nuclear magnetic resonance and the quantum Hall effects. SDFT does not provide explicit information on the currents. RDFT in principle does, but standard implementations of it are formulated in a spin-only version, which prohibits extraction of information on the currents. Furthermore, the formalism of RDFT is considerably more complicated than that of SDFT. In this situation the formulation of nonrelativistic current-DFT (CDFT), accomplished by Vignale and Rasolt [140, 141], was a major step forward. CDFT is formulated explicitly in terms of the (spin) density and the nonrelativistic paramagnetic current density vector jp(r). Some recent applications of CDFT are Refs. [142, 143, 144, 145]. E. K. U. Gross and the author have shown that the existence of spin currents implies the existence of a link between the xc functionals of SDFT and those of CDFT [146], Conceptually, this link is similar to the one of Eq. (99) between functionals of DFT and SDFT, but the details are quite different. Some approximations for xc functionals of CDFT are discussed in Refs. [146, 147, 148]. 

Outstanding examples of the use of computers in chemistry are in the fields of mass spectrometry, nuclear magnetic resonance, and the many techniques for surface analysis. Developments in these fields have been a matter of slow, but sustained improvement. One reason for the slowness of the developments seems to have been the time needed to introduce the different areas of science which are necessary for a complete system. Foremost amongst these areas is computing science. Computing systems are notoriously difficult and slow to develop because of the complexity and number of the necessary and interlocking software and hardware modules. 

Smith, I, . P., Jennings, H. J., and Deslauriers, R. (1975). Accounts Chem. Res. 8, 306. Carbon-13 Nuclear Magnetic Resonance and the Conformations of Biological Molecules. 

Other advantages of CLC, when compared to HPLC, includes its higher permeability,chemical inertia, easier coupling to other separation and identification systems such as MS, GC, and nuclear magnetic resonance, and the possibility of making longer columns, thus achieving more plates (efficiency) and resolution. 

L.R. Sarles, R.M. Cods, Double nuclear magnetic resonance and the dipole interaction in solids, Phys. Rev. Ill (1958) 853. 

Finally, the values of the dielectric relaxation of hydroxyl groups measured by NMR (NMR= Nuclear Magnetic Resonance) and the frequencies of the vibrational modes of adsorbed molecules (OH or NH3), recorded by infra-red absorption, are related to the adsorption strength. From experimental values of OH stretching frequencies and from the acidity scale relevant for acids in solutions. Hair and Hertl (1970) were, for example, able to determine the pKa of adsorbed OH on surfaces. We will come back to the characteristics of hydroxyl groups adsorbed on oxide surfaces in the last section of this chapter. 

To a physical organic chemist, dipole moment and molecular refraction are electronic properties par excellence—so is optical activity, which is determined, as it were, by the topology of the motion of charge through the molecule under the influence of the electric component of a radiation field so also are the chemical shift of the frequency of nuclear magnetic resonance and the nuclear qvadrupoU coupling constant, both of which serve as sensitive probes into the electronic environment of the nucleus. 

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