Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Group approximation

Aryloxy, hydroxy arylsulfonyloxy, and phosphoryloxy. The 4-toluenesulfonyloxy and 4-nitrophenyloxy groups approximate the chloro group in replaceability in benzene derivatives. The former appears to be less reactive than chloro toward hydroxide on quinoline and -phenoxy on pyrimidine is relatively unreactive toward sulfanilamide anion or ammonia. On cinnoline, quinazoline, or quinoline, a 4-phenoxy group is less reactive than a chloro group. [Pg.210]

It is important to distinguish between mmetiy properties of wave functions on one hand and those of density matrices and densities on the other. The symmetry properties of wave functions are derived from those of the Hamiltonian. The "normal" situation is that the Hamiltonian commutes with a set of symmetry operations which form a group. The eigenfunctions of that Hamiltonian must then transform according to the irreducible representations of the group. Approximate wave functions with the same symmetry properties can be constructed, and they make it possible to simplify the calculations. [Pg.134]

C. BSC-PEG (1 g, 0.4 mequiv. SC-groups) was added to a stirred solution of BSA (100 mg, 1.5 x 10 6 mol) in 0.1 M sodium borate, pH 9.2. Sodium hydroxide (0.5 N) was used to maintain pH 9.2 for 30 min. The excess of free PEG was removed by diafiltration and the product assayed for the number of free amino groups. Approximately 48 of the amino groups of the native BSA were modified. Analysis of the product by HPLC (Gel Filtration) indicated that over 65% of PEG-BSA was in an intermolecularly crosslinked form and about 35% of the product had the same molecular weight as PEG-BSA from the above example. [Pg.95]

The other difference refers to the way in which the different groups approximate A. Thus, while VCP focus the attention on a renormalization of the approximated 3-RDM which uses the complementary holes matrix, NY again inspire their procedure on the assumption of an analogy with the Dyson equation. Finally, Mazziotti uses a self-consistent algorithm which may be sumarized as The A-RDM is calculated by means of an algorithm which coincides with the one proposed by NY, expressed in a compact form as ... [Pg.5]

Bipolar disorder (manic-depressive illness) represents one of the most dramatic presentations in all of medicine and simultaneously poses one of the more difficult therapeutic challenges. It is characterized by mania or hypomania, alternating irregularly or intermingling with episodes of depression however, a small group (approximately 1%) may only experience recurrent manic episodes (i.e., unipolar mania). The estimated risk of developing a bipolar disorder is 0.5% to 1%, and the incidence of new cases per year is in the range of 0.01 % for men and 0.01 % to 0.03% for women (1). Bipolar spectrum can be conceived of as a continuum of more to less severe clinical presentations ... [Pg.182]

Sample problems and quizzes, grouped approximately by chapter, are presented in Appendix B. Many are based on examples from the recent literature and references are provided. Detailed answers are worked out for many of the problems. These serve as further examples to the reader of the application of the principles of orbital interaction theory. [Pg.337]

Factor High-Risk Group Low-Risk Group Approximate Increase in Risk ... [Pg.309]

Before administration of the test substance, selected healthy, young adult animals are acclimated to laboratory conditions for at least 5 days. Before the test, animals are randomized and assigned to treating groups. Approximately 24 hours before the test, the fur on the skin should be clipped or shaved from the dorsal area of the trunk of the test animal. Care must be taken to avoid abrading the skin, which could alter the permeability of the test chemical through the skin. Approximately 10% of the body surface area should be prepared for application of the test chemical. [Pg.470]

Other food groups. Approximately 20-25 percent of the zinc In the food supply comes from four other food groups—(1) eggs,... [Pg.25]

Table IV summarized the ESCA data obtained on the polished carbon surfaces along with estimates of percentages of the carbon-oxygen groups on the surface. Roughly 85-90% of both the unalloyed and Si-alloyed carbon surfaces are shown to be oxygen-free, with the remainder consisting of three major types of oxygen-containing functional groups approximately 60% are of the ether-like variety, 25% are quinone-like, and the remaining 15% are ester-like. Table IV summarized the ESCA data obtained on the polished carbon surfaces along with estimates of percentages of the carbon-oxygen groups on the surface. Roughly 85-90% of both the unalloyed and Si-alloyed carbon surfaces are shown to be oxygen-free, with the remainder consisting of three major types of oxygen-containing functional groups approximately 60% are of the ether-like variety, 25% are quinone-like, and the remaining 15% are ester-like.
In the case of crystaUine sohds, more than one equivalent structural unit may be present in the primitive cell. This results in sphttings of the fundamental vibrational modes of these units. In the case of many crystalline solid materials covalent units (e.g. oxo-anions for oxo-salts) are present, together with other groups bonded by ionic bonds (e.g. the cations in the oxo-salts). According to the above group approximation, the internal vibrations of the covalent units can be considered separately from their external vibrations hindered rotations and translations of the group that finally contribute to the lattice vibrations and to the acoustic modes of the unit cell) and those of the other units. The presence of a number of covalent structural units in the primitive cell, causes their internal modes to spHt... [Pg.110]


See other pages where Group approximation is mentioned: [Pg.386]    [Pg.348]    [Pg.96]    [Pg.174]    [Pg.112]    [Pg.95]    [Pg.228]    [Pg.84]    [Pg.145]    [Pg.145]    [Pg.342]    [Pg.122]    [Pg.342]    [Pg.76]    [Pg.223]    [Pg.298]    [Pg.177]    [Pg.260]    [Pg.494]    [Pg.164]    [Pg.429]    [Pg.141]    [Pg.128]    [Pg.409]    [Pg.374]    [Pg.212]    [Pg.210]    [Pg.26]    [Pg.242]    [Pg.229]    [Pg.307]    [Pg.312]    [Pg.110]    [Pg.121]    [Pg.518]    [Pg.302]    [Pg.878]   
See also in sourсe #XX -- [ Pg.110 ]




SEARCH



Adiabatic approximation group

Born-Oppenheimer group- adiabatic approximation

Born-Oppenheimer group- approximation

Energy bands in the free-electron approximation symmorphic space groups

Group function approximation

Renormalization group approximation

The Group Born-Oppenheimer Approximation

© 2024 chempedia.info