Interaction eliminating

Fig. 27. RDFs for 1 M erbium(III) nitrate and chloride solutions in DMSO (solid lines) with nonmetal interactions eliminated. DMSO is coordinated over oxygen with an average Er—O—S angle of abut 130°. Nitrate is coordinated as a bidentate ligand. The Er—Cl distance for chloride in the first coordination sphere is 2.57 A. Theoretical values calculated for Er(N03)15(dmso)59 in the nitrate solution and ErCl13(dmso)5 2 in the chloride solution are marked by dots. The contributions from the coordinated anions (N03 or Cl ) are separately shown as dotted lines.

Coupling of spin and angular momentum by the SO interaction eliminates the spin component as a good quantum number. In fact, the direction of the spin may no longer be constant over a system. In the absence of SO coupling terms, spin degrees of freedom factorize conpletely and the spin-density dependent local xc energy functional is conveniently approximated by [48,103]... 

Recently W. Meyer has proposed two rather straightforward extensions of the lEPA method that proved to be very useful in practical calculations. The first one termed PNO—Cl (Pseudo-Natural-Orbital Configuration Interaction) eliminates the first drawback of lEPA mentioned in the beginning of this section, the second one, called CEPA (for Coupled-Electron-Pair Approximation) improves lEPA with respect to the second drawback. The relation between the lEPA, PNO—Cl and CEPA methods is most easily explained in the following way. 

Find the post-interaction elimination half life. 

Change the process to eliminate human interaction Elimination of pinch points (increase clearance)... 

Recent results indicate that in most scaling interactions, elimination of the ratio of solid-to-gas density ratio from the set of scaling parameters leads to discrepancies between the scale models and the larger beds being simulated see Glicksman et al. (1998). 

Yang XX, Hu ZP, Duan W, Zhu YZ, Zhou SF. Drug-herb interactions eliminating toxicity with hard drug design. CurrPharm Des. 2006 12 4649-64. 

The film condensation. The ions, electrons and energetic neutrals induce chemical and structural modifications of the growing sputtered films. This fact has been shown recently in the case of rare gas interactions on ethylene-tetrafluoroethylene copolymers . During the deposition these interactions eliminate fluorine atoms and also small fragments to form cross links, unsaturated and free radicals in the deposited polymer. These free radicals and un-... 

Figure 2-99. Elimination of non-bonded interactions (close contacts).

The effect of aromatic substrates on the formation of N02" is shown in the considerably increased substrate selectivity over that obtained with NO2+ salts. On the basis of the experimental data it is suggested that in these nitrations a weaker nitrating species than NO2+ must be involved in the primary interaction with the aromatic substrates. This incipient nitronium ion then attaches itself to the aromatics in a step giving high substrate selectivity. Whether the incipient nitronium ion is the nitracidium ion (H2NO3+), protonated acetyl nitrate (CH3COO—HN02 ) or probably a transition state of any of those unstable species to N02, in which water is loosened, but not yet completely eliminated, is difficult to say and no direct physical evidence is available. 

In the cationic intermediate (180), when the steric interaction between R, and R2 becomes too great, Ri is eliminated as an olefin leaving the nitrogen-unsubstituted A-4 thiazoline-2-thione (182). 

The steepest descent method rapidly alleviates large forces on atoms. This is especially useful for eliminating the large non-bonded interactions often found in initial structures. Each step in... 

In applying the Debye theory to concentrated solutions, we must extrapolate the results measured at different concentrations to C2 = 0 to eliminate the effects of solute-solute interactions. 

The nutrient sparing effect of antibiotics may result from reduction or elimination of bacteria competing for consumed and available nutrients. It is also recognized that certain bacteria synthesize vitamins (qv), amino acids (qv), or proteins that may be utilized by the host animal. Support of this mode of action is found in the observed nutritional interactions with subtherapeutic use of antibiotics in animal feeds. Protein concentration and digestibiHty, and amino acid composition of consumed proteins may all influence the magnitude of response to feeding antibiotics. Positive effects appear to be largest... 

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