The Diels-Alder cycloaddition reactions between dienes and allenic ketones were studied theoretically using CNDO/2 method. It was found that the reaction is a neutral electron demand type with matrix element control and the reactivity, the regio- and stereo-selectivities can be correctly predicted based on interaction energies calculated with the 4-center FMO formalism.

1,1,1-Trifluoro-4-substituted-3-buten-2-ols and 1,1,1-trifluoro-5-phenyl-4-penten-2-ol were prepared by hydromagnesation and palladium catalyzed phenylation in high stereoselectivity.

A thermal decomposition of trichloroethylene was studied in the temperature range of 440-$460^{\circ}C$ by using the conventional static system. In order to investigate the pressure dependence of reaction and to eliminate free radical process, propylene was used as the bath gas. The pressure range investigated was 10∼900 Torr. The decomposition was the unimolecular dehydrochlorination and the reaction products were hydrogen chloride and dichloroacetylene. Results were interpreted in terms of the Ric-Ramsperger-Kassel-Marcus (RRKM) unimolecular rate theory and the Arrhenius parameters were determined from fall-off behaviors. The Arrhenius parameters are found to be log $A=13.8{\pm}0.2sec^{-1}$ and E = $56.6{\pm}0.7$ kcal/mole, respectively.

Kinetic studies of nucleophilic substitution reactions of para-substituted benzylchlorides with anilines were conducted in a range of MeOH-MeCN mixtures at $55.1^{\circ}C$. Hammett ${\rho}_C$, ${\rho}_N$ values and Bronsted ${\beta}$ values were determined, in other to examine the transition state variations caused by changes in nucleophiles, substituents and solvents properties (${\pi}^{\ast}$ and ${\alpha}$). Applications of potential energy surface (PES) and quantum mechanical (QM) models of transitheion state characterization lead us to conclude that the reaction proceeds via the dissociative $S_N2$ mechanism.

Depending on the range of shear rates, temperatures and concentrations, the potato starch suspension in water behaves as a typical dilatant system. The flow curves of the suspension at various concentrations and temperatures were obtained by using a Couette type rotational viscometer. The flow mechanism of the suspension is explained by a structure model of starch granules in the suspension. Based on the experimental results, a general flow equation for the dilatant system is proposed. By analyzing the temperature dependency of the relaxation time, the activation enthalpy and activation entropy for flow in the starch-water suspension were calculated, the former being about 10 kcal/mol.

A precise EDTA titrimetric method involving a weight titration of major portion with solid reagent followed by titration of the remainder with a very dilute standard solution has been developed for the determination of bismuth. When the end point is determined by means of amperometry with a rotating mercury electrode, the error in bismuth analysis is less than 0.01 % even when $Pb^{2+}$, $Zn^{2+}$, or $Cd^{2+}$ is present. However, copper interferes appreciably and masking with thiourea gives too low results.

Thianthrene cation radical perchlorate (1) reacted with N-free sulfonamides to give directly N-sulfonylsulfilimines (5a-5c) but reaction with N-alkylsulfonamides afforded, inter alia, 5-(2-thianthreniumyl) thianthrene perchlorate (6).

A molecular dynamic computer experiment was performed on a system of 108 particles composed of a single polymer chain and solvent molecules. The state considered was in the immediate neighborhood of the triple point of the system. The polymer itself is an analog of a freely jointed chain. The Lennard-Jones potential was used to represent the interactions between all particles except for that between the chain elements forming a bond in the polymer chain, for which the interaction was expressed by a harmonic potential. The self-diffusion coefficient and velocity autocorrelation function (VACF) of a polymer were calculated at various chain lengths $N_p$, and various interaction strengths between solvent molecules and a polymer chain element. For self-diffusion coefficients D, the Einstein relation holds good; as chain length $N_p$ increases the D value decreases, and D also decreases as ${\varepsilon}_{cs}$ (the interaction parameter between the chain element and solvent molecules) increases. The relaxation time of velocity autocorrelation decreases as ${\varepsilon}_{cs}$ increases, and it is constant for various chain lengths. The diffusion coefficients in various conditions reveal that our systems are in a free draining limit as is well known from the behavior of low molecular weight polymers, this also agrees with the Kirkwood-Riesman theory.

Molecular reorientation of oblate symmetric top molecules with internal rotation is investigated theoretically and an analytic expression for the overall reorientational correlation time in terms of the internal angular momentum correlation time is derived. This expression is quite different from the expression for prolate symmetric top molecules but reduces to the same expression in the spherical top limit. Fast internal rotation is treated by a modified version of the extended rotational diffusion while the bulky symmetric top mainbody is treated by the rotational diffusion model.

The stability constant for the complex of $UO_2^{2+}$ with a macrocyclic aminoether ligand, 1,7,10,16-tetraoxa-4,13-diazacyclooctadecane, has determined in aqueous solution. The conductivity and pH metric measurements suggest that the ligand forms a stable 1:1 complex with $UO_2^{2+}$ ion, and the complex is an ionic form, $UO_2L^{2+}$, in aqueous solution. The fact that the ligand does not form a complex with lanthanides, such as $Ce^{3+}$, $Sm^{3+}$, and $Nd^{3+}$ ions, in aqueous solution suggests a possibility of separation of the lanthanide elements from uranium matrix using the macrocyclic aminoether ligand.