Polarizability pattern

The drug-receptor interaction is a highly specialized hydrophobic, polar, electronic, and steric interaction the lipophilicity pattern, the electron density distribution, and the polarizability pattern at the surface of both the drug and its binding site contribute to the interaction energy. 

It can be seen from Figures 3.7 and 3.8 that the calculations reproduce very well not only the experimental spectra but also the experimentally observed isotopic shifts indicating a high reliability of the computational method. According to this comparison, definite attribution can be made for even the difficult Raman bands that cannot be assigned based solely on the experimental results. It is, however, necessary to mention at this point that the calculated Raman spectrum provided directly by the ab initio computations correspond to the normal Raman spectrum with the band intensity determined by the polarizability of the correlating vibration. Since the intensity pattern exhibited by the experimentally recorded resonance Raman spectrum is due to the resonance enhancement effect of a particular chromophore, with no consideration of this effect, the calculated intensity pattern may, in many... 

The dipole, the oetupolar moment and the polarizability of protonated dpg molecules, and therefore the optieal and dielectric properties of dpg salts, depend on the orientation of the rings, whieh justifies the need to determine aecurate struetural data for these eompounds. At the present time sufficient structures have been reported so that eommon conformations or patterns can be identified. Table 7 eontains a brief identification of all the struetures analyzed in this review. 

The reactions of 160 in H20-DMS0 mixed solvents (0.5M ionic strength, Me4N+CT) follow the same pattern as in water and have been treated by a similar kinetic analysis.224 On transfer from water to mixed solvent a considerable increase was found in the equilibrium constants and rates of formation of 161 in acidic (Ku kt) and in basic conditions (K2, k2), as expected from the known tendency of DMSO to solvate polarizable anions. Under the stated acidic conditions the H20 molecule actually acts as the nucleophile. 

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