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Gradient standard method

Pulsed field gradient NMR has become a standard method for measurement of diffusion rates. Stilbs [272] and others have exploited in particular the FT version for the study of mixtures. An added advantage of PFG-NMR is that it can be employed to simplify complex NMR spectra. This simplification is achieved by attenuation of resonances based on the differential diffusion properties of components present in the mixture. [Pg.339]

The electronic structure method used to provide the energies and gradients of the states is crucial in photochemistry and photophysics. Ab initio electronic structure methods have been used for many years. Treating closed shell systems in their ground state is a problem that, in many cases, can now be solved routinely by chemists using standardized methods and computer packages. In order to obtain quantitative results, electron correlation (also referred to as dynamical correlation) should be included in the model and there are many methods available for doing this based on either variational or perturbation principles [41],... [Pg.290]

Once the free energy of an inhomogeneous system is given, one can calculate by standard methods the properties of the interface—for example, the interfacial tension or the density profile perpendicular the interface [285]. Weiss and Schroer compared the various approximations within square-gradient theory discussed earlier in Section IV.F for studying the interfacial properties for pure DH and FL theory [241, 242], In theories based on local density approximations the interfacial thickness and the interfacial tension were found to differ by up to a factor of four in the various approximations. This contrasts with nonionic fluids, where the density profiles and interfacial... [Pg.46]

This standard method of density gradient centrifugation, however, has a serious disadvantage. Because of the sedimentation and diffusion equilibrium formation of the density profile the time needed for orie experiment amounts to more than 15 hours. [Pg.240]

The atoms-in-molecules (AIM) analysis of electron density, using ab initio calculations, was considered in Section 5.5.4. A comparison of AIM analysis by DFT with that by ab initio calculations by Boyd et al. showed that results from DFT and ab initio methods were similar, but gradient-corrected methods were somewhat better than the SVWN method, using QCISD ab initio calculations as a standard. DFT shifts the CN, CO, and CF bond critical points of HCN, CO, and CH3F toward the carbon and increases the electron density in the bonding regions, compared to QCISD calculations [107]. [Pg.491]

One standard method approach that appears to have wide application in the pharmaceutical industry is the use of reversed-phase high performance liquid chromatography (HPLC) with a wide solvent gradient program. For example, a linear gradient from 95%... [Pg.43]

Measurement of the transepidermal water loss (TEWL) is the standard method to determine SC barrier status. A disturbed skin barrier is characterized by high TEWL.7 The measurement of the TEWL is based on the diffusion principle in an open chamber. The density gradient is measured... [Pg.476]

The density of any material is defined as its weight per unit volume. Textile fiber density is more conveniently determined indirectly by comparing the sample with standards of known density. The two conunonly used techniques are the sink-float and gradient density methods. [Pg.13]

Isolate PBMC using the standard method of density gradient centrifugation on Ficoll-Paque PLUS, following the vendor s recommendations (http //www.stemcell.com/ /media/ Technical%20Resources/l/F/F/B/3/29630 PIS 2 l 2. ashx). [Pg.256]


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