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Mechanisms 360 INDEX

The indexing mechanism conforms to the standard RDfile interchange format, enabling data to be conveniently stored, searched, and displayed using any reaction searching software able to import RDfiles. Furthermore, the indexed file lends itself to computational analysis, whereby the indexed fragments may be extracted and utilized as the basis for software prediction tools. (Relevant application examples will be discussed in detail in Section 4.5.)... [Pg.58]

The calibration guide tube included in each fixed in-core assembly permits the insertion of a traversing ion chamber to obtain vertical flux profiles and to calibrate the chambers. Each calibration guide tube extends nearly to the top of the active portion of the core and is sealed at the upper end. The tubes pass through the nozzles and seals beneath the reactor vessel and connect to an indexing mechanism located inside the contaiiunent. The indexing mechanism permits the traversing ion chamber to be directed to many different detector assemblies. [Pg.135]

More recently Andrews and Juzeliunas [6, 7] developed a unified tlieory that embraces botli radiationless (Forster) and long-range radiative energy transfer. In otlier words tliis tlieory is valid over tire whole span of distances ranging from tliose which characterize molecular stmcture (nanometres) up to cosmic distances. It also addresses tire intennediate range where neitlier tire radiative nor tire Forster mechanism is fully valid. Below is tlieir expression for tire rate of pairwise energy transfer w from donor to acceptor, applicable to transfer in systems where tire donor and acceptor are embedded in a transparent medium of refractive index ... [Pg.3018]

The symbols X and denote the quantum mechanical coordinates of the nuclei and electrons, respectively. The index p runs over electronic structures and y over geometries. [Pg.231]

Molecular descriptors must then be computed. Any numerical value that describes the molecule could be used. Many descriptors are obtained from molecular mechanics or semiempirical calculations. Energies, population analysis, and vibrational frequency analysis with its associated thermodynamic quantities are often obtained this way. Ah initio results can be used reliably, but are often avoided due to the large amount of computation necessary. The largest percentage of descriptors are easily determined values, such as molecular weights, topological indexes, moments of inertia, and so on. Table 30.1 lists some of the descriptors that have been found to be useful in previous studies. These are discussed in more detail in the review articles listed in the bibliography. [Pg.244]

Computed optical properties tend not to be extremely accurate for polymers. The optical absorption spectra (UV/VIS) must be computed from semiempiri-cal or ah initio calculations. Vibrational spectra (IR) can be computed with some molecular mechanics or orbital-based methods. The refractive index is most often calculated from a group additivity technique, with a correction for density. [Pg.314]

Drying capability Drying index Drying mechanisms Drying methods Drying oil Drying oils... [Pg.347]

Many grades of acetal resins are Hsted in Underwriters Eaboratories (UL) Kecogni d Component Directory. UL assigns temperature index ratings indicating expected continuous-use retention of mechanical and electrical properties. UL also classifies materials on the basis of flammability characteristics homopolymer and copolymer are both classified 94HB. [Pg.60]

World Patent Index (WPI) Derwent Pubfications, Ltd. Dialog, Orbit, Questel, STN chemical, electrical, mechanical patents... [Pg.116]


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