Various MO methods with differing degrees of sophistication are shown to yield qualitatively consistent results for methyl isoalloxazins. However, with crude methods such as the HMO and ${\omega}$-technique, the choice of Coulomb and resonance integralsis critical, in contrast with simpler molecular systems. The empirical value of ${\omega}$=0.5 appears to be more reasonable than 1.4. Methyl groups in these flaving are best treated by the group orbital approximation. The pseudo-heteroatom approximation overestimates methyl hyperconfiguration with the Pariser-Parrpole SCR MO method. siglet ${\pi}{\rightarrow}{\pi}^*$ transition energies are calculated by the P-P-P method and agree reasonably with the experimental values. 2- and 4-Thioisoalloxazine analogs are also treated. Reactivity indices of the flavin molecule are presented, includeing superdelocalizability. frontier orbital and radical densities. Various aspects of the applications of these indices of the methyl groups on dipolemoments, inozation potentialsm elctron affinities, and spectra are decribed in detail.

In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

IMO 이론을 naphthalene, phenanthrene 및 1,2-benzanthracene 과 maleic anhydride 와의 Diels-Alder 반응에 적용하였다. Alternant hydrocarbon 에서 열적 부과반응이 일어 나리라 예상되는 위치가 실험결과와 잘 일치하였다. 계산된 안정화 에너지로부터 부가생성률 중의 이성체들의 상대적양이 설명되었으며 또 Brown 의 paralocalization 에너지와 안정화에너지 사이에 좋은 직전성이 있음을 알았다.

메타놀, N,N-디메칠포름아미드 및 아세토니트릴 속에서 유리전극의 pH 응답성을 여러가지 pH의 완충용액으로 시험한 바 전극을 물속에 보관하는 것보다 측정하고저 하는 용매속에 보관하는 것이 더 빨리 전위가 안정되었다. 같은 용매에서 용액의 염기성에 비례하여 응답속도가 느리고 강염기성 용액에서는 안정한 전위를 얻기 어려웠다. 산성용액에서의 pH 응답성은 보다 빠르나 같은 용액의 pH 측정에서도 전극의 사용한 이력에 따라 응답성과 측정치에 차이가 생겼다.

Ammonium metavanadate의 熱分解過程을 spring balance와 示差熱分析에 의하여 調査하였다. 分解는 $180^{\circ}C{\sim}220^{\circ}C$와 $310^{\circ}C{\sim}330^{\circ}C$이 두 溫度範圍에서 일어나며 最終生成物은 $V_2O_5(orange yellow)$임을 알았다. 第一段階分解는 $NH_3$와 $H_2O$가 2:1의 比로 放出되는 過程임을 $NH_3$의 定量, omegatron mass spectrometer에 의하여 알았으며, 第二段階의 分解는 $NH_3,\;H_2$)外에 N2도 放出된다는 것을 gas chromatography, omegatron mass spectrometer에 의하여 認知하였다. 分解生成物을 X-ray 回折에 의하여 分析한 結果는 空氣中에서의 分解生成物은 $V_2O_5$의 組成을 가진 것이 生成되었음을 確認하였다. 또한 $NH_4VO_3$ 熱分解에 있어서의 活性化에너지는 各各 41.4 kcal/mole 64.4 kcal/mole의 값을 갖었음을 알았다.

This paper reports the reaction of monoiodoperfluorocycloakense with alkyl lithium and activated copper repectively resulting in various coupling products. Of particular interests are compounds of the following composition. The physical properties of the various compounds are given along with a discussion relating to the mechanistic pathways involved in the coupling reactions.

Diethyl itaconate was found to react tetrafluoroethylene, trifluorochloroethylene, and 1,1-difluoro-2,2-dichloroethylene quite rendily at $180^{\circ}C$ to form 1-carboxy-2,2,3,3,-tetrahalo-cyclobutane ethanoic acid derivatives ${C{\underline{X_2-CF_2-CH_2-}}C-(COOEt)-CH_2COOEt$, where X is Cl or F). Diethylcitraconate failed to yeild any cycloaddition products. The Physical and Chemical properties of the above esters and their dericatives are characterized and compared with other similar ring compounds.

2, 6-Disubstituted-3-pyridazinones were synthesized from the reaction of trichloroethylideneacetophenone with substituted phenylhydrazines. Trichloroethylideneacetophenone 2, 4-dinitrophenylhydrazone was isolated from the reaction of trichloroethylideneacetophenone with 2, 4-dinitrophenylhydrazine and it gave 2-(2, 4-dinitrophenyl)-6-phenyl-3-pyridazinone through ring closure. This indicates that pyridazinones are produced through hydrazone formation and ring closure as suggested previously. The effect of substituents of phenylhydrazine on the reaction was also discussed.

국산 벤토나이트를 분자량이 큰 imidazolines과 반응시켜 벤톤을 만들었으며 벤토나이트의 양이온 교환율이 100meq/100g이상이 됨을 알았다. 제조한 벤톤은 윤활유에 분산시키고 three-roll mill로 milling 한 후 그리이스를 만들었다. 이들 그리이스의 주도 (microscale로), 정상상태에서의 산화 안정도, 내수성, 및 내 마모성은 ASTM방법에 의하여 시험하였고 매우 좋은 실험결과를 얻었다.