分子第一超极化率的分子结构效应研究

以(类)杂芪染料等十种有机分子为例,研究了分子结构效应对有机分子第一超极化率的影响规律,将分子结构效应归为五类,即：正负电荷效应、共轭π－电子数效应、共轭π－原子效应、联接效应和电子给/受体效应,得到了用简单的分子跃行波数νa来表示分子结构效应对第一超极率影响的线性方程组和网状关系图,该图不仅反映了每种结构因素对β值的影响规律及其所能给出的最高第一超极化率,更反映了这五种结构因素对第一超极化率的不同影响规律间的关系,指出了最能增大第一超极化率的结构因素是正电荷效应,为设计具有特殊光学窗口的有机分子提供一个新概念和新途径。     

ENTROPY SOLUTIONS FOR FIRST-ORDER QUASILINEAR EQUATIONS RELATED TO A BILATERAL OBSTACLE CONDITION IN A BOUNDED DOMAIN

This paper is devoted to the existence and the uniqueness of the entropy solution for a general scalar conservation law associated with a forced bilateral obstacle condition in a bounded domain of R^P, p ≥ 1. The method of penalization is used with a view to obtaining an existence result. How-ever, the former only gives uniform L^∞-estimates and so leads in fact to look for an Entropy Measure-Valued Solution, according to the specific properties of bounded sequences in L^∞. The uniqueness of this EMVS is proved. Classically, it first ensures the existence of a bounded and measurable function U entropy solution and then the strong convergence in La of approximate solutions to U.