The general formulas for SCF atomic orbitals |5s > and |6p > have been derived separately by expressing the spherical harmonics part in terms of the coordinate($r_1,\;$r_2$) of the reference point, and by translating the exponential part, $r^4\;exp\;(-{\beta}r)$), in terms of $r_1,\;and\;r_2$ and the modified Bessel functions. Master formulas for overlap and dipole moment matrix elements are derived. The computed values of overlap and dipole moment matrix elements for hypothetical NO molecule are exactly in agreement with those for the previous methods.

The crystal structure of phlorizin, a ${\beta}$ -D-glucopyranoside of a flavonoid dihydrochalcone phloretin, has been determined by single crystal diffraction methods using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Cu $K{\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 4.9094 (2), b = 19.109 (1), c = 23.275 (4) $\AA$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.047 for the 1697 observed reflections. The dihydrochalcone moiety is flat and fully extended. The glucose ring has the $^4C_1$ chair conformation and the conformation of the primary alcohol group is gauche-gauche. The crystal packing is dominated by an extensive hydrogen bonding pattern. There are one strong and two weak intramolecular hydrogen bonds in the phlorizin molecule.

Electrical conductivites of polycrystalline yttrium sesquioxides containing 1.6 and 3.2 mol % of holmium sesquioxdes have been measured from 650 to $1050^{\circ}C$ under oxygen partial pressures of $1{\times}10^{-5}$ to $2{\times}10^{-1}$ atm. Plots of log conductivity vs. 1/T at constant oxygen partial pressures are found to be linear away from the two inflection points. The low- and high-temperature dependences of conductivity show different defect structures of yttrium sesquioxide. The plots of log conductivity vs. log $PO_2$ are found to be linear at $PO_{2'}$s of $10^{-5}$ to $10^{-1} atm. The electrical conductivity dependences on $PO_2$ are found to be $1}5.3$ at $950-1050^{\circ}C$, $\frac{6}{1}$ at $800-950^{\circ}C$ and ($\frac{6.2}{1}$) - ($\frac{6.5}{1}$) at $650-800^{\circ}C$, respectively. The defect structures and conduction mechanisms have been suggested.

(Z)-12-Tetradecen-1-yl acetate (1), (E)-12-tetradecen-1-yl acetate (2) and tetradecan-1-yl acetate (3), the active components of the sex pheromone of the Asian Corn Borer moth were synthesized by two different methods, one from acetylene and 11-bromo-1-undecanol THP ether by acetylenic route, the other from 12-acetoxy-1-dodecanal and ethylidenetriphenylphosphonium ylide by Wittig route.

Solvolysis of 1-adamantyl chloride, -bromide and -tosylate have been studied in methanol-acetonitrile mixtures. Rate maxima were found for 1-adamantyl bromide and tosylate at 80-90 % methanol mixtures. The rate maximum observed was interpreted as a result of cooperative enhancement of cation and anion solvation. 1-Adamantyl tosylate had small cation solvation but had extensive anion solvation. It was concluded that the Y scale based on adamantyl tosylate is superior to others since it varies in a wide range especially for weakly ionizing medium.

The charge-transfer complexing properties of 1-methyl nicotinamide (MNA), an acceptor, and adenine, a donor, were investigated in water and SDS micellar solutions in relation to the intramolecular interaction in nicotinamide adenine dinucleotide ($NAD^+$). The spectral and thermodynamic parameters of MNA-indole and methyl viologen-adenine complex formations were determined, and the data were utilized to evaluate the charge-transfer abilities of MNA and adenine. The electron affinity of nicotinamide was estimated to be 0.28 eV from charge-transfer energy $of{\sim}300$ nm for MNA-indole. The large enhancement of MNA-indole complexation in SDS solutions by entropy effect was attributed to hydrophobic nature of indole. The complex between adenine and methyl viologen showed an absorption band peaked near 360 nm. The ionization potential of adenine was evaluated to be 8.28 eV from this. The much smaller enhancement of charge-transfer interaction involving adenine than that of indole in SDS solutions was attributed to weaker hydrophobic nature of the donor. The charge-transfer energy of 4.41 eV (280 nm) was estimated for nicotinamide-adenine complex. The spectral behaviors of $NAD^+$ were accounted to the presence of intramolecular interaction in $NAD^+$, which is only slightly enhanced in SDS solutions. The replacement of nicotinamide-adenine interaction in $NAD^+$ by intermolecular nicotinamide-indole interaction in enzyme bound $NAD^+$, and guiding role of adenine moiety in $NAD^+$ were discussed.

Normal modes of crystalline orthorhombic sulfur belonging to the space group $D_{2h}$-Fddd, have been evaluated by taking the lowest temperature phase in the solid. Normal modes are obtained by the valence force field with modified force constants and a quantitative description of the mode is adjusted by the potential energy distribution. Since the full crystal system of orthorhombic sulfur is so large, we intended to calculate the normal modes simply by constructing the imaginary box made by the infinite mass boundary. And the Raman experiment is done by using the more powerful Ar-Kr gas laser with lowering the temperature to ${\sim}10^{\circ}K$.

The luminescence intensity of $Tb^{3+}$ bound to picolinic acid, squaric acid, and 2,3-pyrazinedicarboxylic acid has been studied in water and water-ethanol mixtures. It has been found that the emission intensity of $Tb^{3+}$ in the complexes is enhanced with the increase of ethanol content in water-ethanol mixtures. Several factors affecting on the emission intensity of $Tb^{3+}$ in waterethanol mixtures are discussed.

The electrical conductance and UV absorbance of 4,N-dimethyl Pridinium Iodide (NDMPI) were measured in the ethanol volume percentage, 95, 90, 80 and 60 of an ethanol-water mixture at 15, 25, 35 and $45^{\circ}C$. Ionic association constants(K) of NDMPI were evaluated in accordance with a combined method of conductance UV absorbance. The ion size parameter (${\gamma}_{\pm}$) and dipole momemt (${\mu}_{A+D-}$) of NDMPI were obtained from the values of K and dielectric constant. The ${\mu}_{A+D-}$- values were in good agreement with the values of transition moment(${\mu}_{mn}$) which is calculated form the UV peak values. The large negative values of the electrical enthalpy (${\Delta}H_{el}^{\circ}$) and entropy (${\Delta}H_{el}^{\circ}$ ) have proved that NDMPI had a positive hydration. The positive values of entropy (${\Delta}S^{\circ}$) means the formation of NDMPI ion goes with dehydration.

The thermal and optical properties of two new series of thermotropic, liquid crystalline compounds were studied by differential scanning calorimetry and on the hot-stage of a polarizing microscope. The first series contained two identical mesogenic units, 4-(p-phenylbenzoyloxy) benzoate moieties, at both ends of the polymethylene spacer of varying lengths and the second series, mesogenic units with different substituents and the hexamethylene group as the central spacer. A thermodynamic analysis of the phase transitions of the compounds was made and the results were discussed in relation to their chemical structures.

The glass transition temperature, dynamic shear moduli, and bulk viscosities of PVC, filled with nickel particles, were investigated. The glass temperature of the composite increased with increasing filler concentration. The data were interpreted by assuming that the interaction between filler particles and the polymer matrix reduces molecular mobility and flexibility of the polymer chains in the vicinity of the interfaces. The relative modulus for the PVC/Ni composite system followed the Kerner equation. The relative viscosities were strongly temperature dependent and did not agree with the conventional viscosity predictions for suspensions. It is suggested that the filler has a twofold effect on the viscosity of the composite materials; one is due to its mechanical presence and the other is due to modification of part of the polymer matrix caused by interaction. This phenomenon is approximately bounded by Kerner's predictions for suspensions.