Theoretical studies of molecular complexes: a probe into basis set and correlation effects

We investigate the effect of basis set size, correlation effects and interplanar separation on the theoretical electronic structure of stacking complexes of para- and meta-hydroxyaruline with formamidinium cation, constructed as analogs for the complexes of 5- and 6-hydroxytryptamine with imidazolium cation.     

Hamilton decompositions of complete multipartite graphs with any 2-factor leave

For m ≥ 1 and p ≥ 2, given a set of integers s₁,…,s_q with for and , necessary and sufficient conditions are found for the existence of a hamilton decomposition of the complete p-partite graph , where U is a 2-factor of consisting of q cycles, the jth cycle having length s_j. This result is then used to completely solve the problem when p = 3, removing the condition that . © 2003 Wiley Periodicals, Inc. J Graph Theory 44: 208–214, 2003     

利用傅立叶变换近红外光谱技术监测再造烟叶的主要化学成分

利用傅立叶变换近红外漫反射光谱和常规化学方法测定了再造烟叶生产过程中浓缩液的成分,基于偏最小二乘回归法建立了其常规化学成分的近红外分析模型,并用于测定再造烟叶浓缩液中的总糖、烟碱、氯离子和钾离子.现场运行结果表明,所建立的分析模型可用于快速、简便和大批量地测定浓缩液中化学成分的含量,可实现产品常规化学成分的及时调控.