代表的ネマチック液晶の分子の非経験的分子軌道法による立体配座、双極子能率、分極率、帯磁率の計算

抄録

The conformation and title properties of typical nematogens, i.e. nCB, 5PCH, MBBA, PAA etc., were calculated using the ,Ab-initio M.O. method with RHF/ 6-31G(D) basis set. Only the most stable conformer of each compound, with some exceptions, was studied. The obtained physical quantities were presented in relation to the axis of moment of inertia.