Thixotropy is a time-dependent shear-thinning phenomenon. We derived a new thixotropic formula which is based on the generalized viscosity formula of Ree and Eyring, $f={\Sigma}\frac{X_i}{{\alpha}_i}sinh^{-1}$ () (Refer to the text concerning the notation.) The following is postulated: (1) thixotropy occurs when small flow units attached to a large flow unit separate from the latter under stress (2) elastic energy(${\omega}$) is stored on the large flow unit during the flow process, and (3) the stored energy contributes to decrease the activation energy for flow. A new thixotropic formula was derived by using these postulations, $f={\frac}{X_0{\beta}_0}{\alpha_0}{\dot{s}}+{\frac}{X_1{\beta}_1}{{\alpha}_1}{\dot{s}}+{\frac}{X_2}{{\alpha_x}}sinh^{-1}$[$({\beta}_0)_2$ exp $(-C_2{\dot{s}}^2/RT){\cdot}{\dot{s}}$] f is the shear stress, and s is the rate of shear. In case of concentrated solutions where the Newtonian flow units have little contribution to the viscosity of the system, the above equation becomes, $f=\frac{X_2}{\alpha_2}sinh^{-1}$[$({\beta}_0)_2$ exp $(-C_2{\dot{s}}^2/RT){\cdot}{\dot{s}}$]. In order to confirm these formulas, we applied to TiO2(anatase and rutile)-water, printing ink and mayonnaise systems. Good agreements between the experiment and theory were observed.

A multi-reference many-body perturbation theory (MRMBPT) method is critically tested in second order by comparing with the corresponding configuration interaction (CI) calculations. Excitation energies of the four-valence-electron states of transition metal atoms and ions are used for the comparison. The agreement between the second order MRMBPT and CI calculations is very reasonable, confirming the reliability of the second order MRMBPT method. The reliability of calculations with the present second order MRMBPT method was only been inferred empirically in the past since most results have been gauged by the agreement with experiment and/or with other MRMBPT calculations based upon different sets of orbitals and configuration spaces. The present MRMBPT method appears to be an efficient ab initio multi-reference method for the calculation of electron correlation effects in atoms and molecules, and it is shown how MRMBPT can be used to estimate core-core and core-valence correlation effects which are often omitted in CI calculations because too many configurations and correlating electrons are involved.

The ionomeric blend and the ionic aggregation studies by using a Fourier-transform infrared spectroscopy(FT-IR) are presented. Two ionomers were prepared, one is barium polyacrylate and the other is barium polystyrenesulfonate. The blend of the two ionomers of the barium salts shows intermolecular ionic interaction between the carboxylated ionomer and the sulfonated ionomer. This interaction leads to considerable differences between the spectrum of the blend and the sum of the spectra of the pure ionomers. From our results, it is shown that ionic interactions must play an important role in the compatibility of the two ionomers. In the ionic aggregation study, the bands due to asymmetric stretching mode of carboxylate anion(COO-) in the carboxylated ionomer and the ionomer blend increase in intensity with increasing the divalent barium cations. These results indicate the formation of ion pairs. The doublet due to the asymmetric stretching modes of the carboxylate anion(COO-) is concerned with a sort of local structure found in the ion aggregation. By considering a possible structure for multiplets in the blend, the spectral splitting and the frequency shift are well explained.

The Smoluchowski equation with a step potential is solved in one-dimensional case and three-dimensional case with spherical symmetry. Exact analytic expressions for the solution and the remaining probability are obtained in one-dimensional case for the reflecting boundary condition and the long time behavior of the remaining probability is compared with the earlier work. In three-dimensional case, only the long time behavior is evaluated. More general case with the radiation boundary condition is also investigated and the results are shown to approach correct limits of the reflecting boundary condition.

Concentration dependences of the isotropic Raman band width and the peak position for the ${\nu}_1$ (C-H stretching) mode of nitromethane in chloroform-d, pyridine-$d_5$, 1,3,5-trifluorobenzene, and hexafluorobenzene have been investigated. For all solutions, the experimental concentration dependences have been well described by the concentration fluctuation model of Knapp and Fischer when appropriate values for the effective numbers (N) of nearest neighbors were used. For the $CH_3NO_2/C_6F_6$ solution, an abnormally small value (2) of N indicates strong intermolecular interaction.

The MNDO calculations were performed in order to investigate the gas-phase reaction mechanism of 2-propene-1-al oxide, as a model compound of dypnone oxide(1,3-diphenyl-2-butene-1-one oxide) with the chloride ion. Optimized geometries and heats of formation for two probable concerted pathways, CHO and H migration, were determined and their activation energies were obtained. MO results show that although the formyl migration is thermodynamically more favorable than the hydride migration, the latter kinetically predominates over the formyl migration, which is contrary to the established migrating preferences. It is concluded that the hydride migratory propensity is catalyzed by the chloride ion by reducing the capability of the carbonyl ${\pi}$ bond to participate in the migration.

A nonlinear analysis is presented for the treatment of fluctuations near the critical point in the presence of diffusion in the Schlogl models. The two time scaling method is used to obtain an evolution equation for the amplitude of fluctuations. It is shown that the fluctuations decay to zero in the stable region and they are enhanced to a finite value as time goes to infinity in the unstable region.

The photocycloaddition reactivity of 5,7-dimethoxycoumarin (DMC) to thymidine is much higher than that of cis-syn 8-methoxypsoralen $<\array{4^{\prime},5\\5^{\prime},6}>$ thymidine monoadducts, due to the steric effect. The different rate is also due to the relative reactivity of the singlet rather than the triplet excited state of the compounds. The biadducts of 8-methoxypsoralen and thymidine are first splitted into 4',5'-monoadducts and thymidine, not into 3,4'-monoadducts and thymidine by 254 nm light.

The Hugoniot adiabatics and viscosity of shock compressed water have been calculated by applying the significant structure theory of water. To consider the effects of pressure and temperature, the sublimation energy has been expressed by the spherically averaged Stillinger-Rahman ST2 potential. Good agreements between theory and experiment are obtained in the whole extreme ranges of shock wave condition up to 100 GPa (lMbar).

Carboxylic acid anhydrides are rapidly reduced with borane-lithium chloride (1:0.1) system to give corresponding alcohols (diols in the case of cyclic anhydride) quantitatively in tetrahydrofuran at room temperature. This reagent tolerates aromatic acid ester, nitro, and halide functional groups, however competitively reduces aliphatic ester and nitrile groups.

Master formulas for overlap integrals and the dipole moments involving |4p > atomic orbitals have been derived by the expansion method for spherical harmonics. The radial integrals for the hyperfine interaction have also been derived for |4p > atomic orbitals. The calculated values of the overlap integrals and dipole moment matrix elements by the expansion method for spherical harmonics for a hypothetical NO molecule are exactly in agreement with those of Mulliken's method. The radial integrals for the hyperfine interaction may be used to calculate the chemical shift for |4p > atomic orbitals.

When the two conjugated poly-ynes, 1-phenyl-6-methyl- and 1,6-diphenyl-1,3,5-hexatriynes, were irradiated with UVA in deaerated 2,3-dimethyl-2-butene solution, 1:2 photoadducts, 1-(1'-phenylethynyl-2',2',3',3'-tetramethylcyclopr opyl)-2-(l",2",2",3",3"-pentamethylcyclopropyl) acetylene and 1-(1'-phenylethynyl-2',2',3',3'-tetramethylcyclopr opyl)-2-(1"-phenyl-2",2",3",3"-tetramethylcyclopropyl) acetylene, were obtained, respectively. No photoadduct was formed with aerated 2,3-dimethyl-2-butene, or deaerated solutions of dimethyl fumarate, methyl crotonate, dimethyl maleate, and trans-1,2-dichloroethylene. The results suggest that the reactions proceed from the triplet state only with electron rich olefins such as 2,3-dimethyl-2-butene.

(+)-(5S,6R)-Erythro-6-acetoxy-5-hexadecanolide, an optically active form of them ajor component of an oviposition attractant pheromone of a mosquito Culex pipiens fatigans, was synthesized enantiospecifically from (-)-2-deoxy-D-ribose.

A series of tetramethyl 1-substituted benzyl-3a,7a-dihydro-1H-indole-2,3,3a,4-tetracarboxylates were prepared and their reactions with bromine were examined. The initial reaction seemed to be the formation of the intermediate N-bromo quaternary ammonium bromide. This intermediate underwent aromatization with loss of the 3a-methoxycarbonyl group. Bromine replaced the N-substituent of the p-methoxybenzyl compound and addition of bromine occurred across the $C_6-C_7$ double bond of the indole ring. Bromination of the benzyl ring and aromatization occurred for the m-methoxybenzyl compound.

Methods for the preparation of p-nitrocalix[4]-arene via the direct substitution reaction of the p-tert-butylcalix[4]arene which is readily available with high yield from the base-induced direct condensation reaction procedure are described.