势能参数的确定与估算

该文简要描述了Lennard-Jones(12,6)势能参数的HB、TW、FP、IGS等计算方法,并对上述计算结果的可靠性进行了讨论,认为IGS、FP的结果最为令人满意,TW公式次之,HB公式再次。最后,在综合前人工作的基础上,针对各种不同对象采用对各自适合的计算方法,列出了300种常见液态物质势能参数σ与ε/k的最佳值。     

不对称Diels—Alder反应区域选择性的理论研究

用半经验量子化学方法MNDO并结合广义微扰理论,在考虑二烯和亲二烯的两对前线轨道相互作用的基础上,研究了不对称Diels-Alder反应不同反应途径的相互作用能,用相互作用能预测了反应优势产物,定量地计算出了不同产物的比例,结果表明理论预测与实验结果一致。     

一个典型C~3I系统的微分方程作战模型的建立

本文针对目前C~3I系统建模研究遇到的难题:如何把C~3I系统的组成内容与它所处的战争环境结合起来,运用复杂系统的一些建模方法、基于问题导向的原则,提出了一套战争环境下C~3I系统建模的规范化建模方法,使C~3I系统与军方常用于描述作战的Lanchester型格斗方程有机地结合起来,形成C~3I系统的作战方程。文中以一个典型的防空作战的C~3I想定进行了具体的计算,建立了该想定的微分方程模型。结果表明,这种方法解决了C~3I系统与Lanchester方程的结合问题,从而使C~3I系统本身的各个组成部分能在模型中与作战环境有机地结合起来。     

串联系统可靠性评定的信息理论方法

本文根据信息熵的性质和可靠性理论,推导出系统可靠性综合评定的新模型,解决了系统各组成单元的可靠性信息综合问题。文中对科尔巴克教授求解成败型单元设备可靠度置信下界的公式作了改进,并对可靠度置信下界进行了计算,取得了满意结果。     

三相异步电动机电气参数较精确计算方法

本文根据异步电动机额定数据和等效电路,导出了异步电动机电气参数较准确的计算方法.     

系统策划中的旋进原则

系统策划中最具智谋特色的部分是策略，而策略之中最具一般性的方法论则是旋进原则．本文介绍了旋进原则的基本特征，探讨了它的应用，并说明了旋进原则的收敛性问题．     

水分对头孢唑林钠药效的影响初探

用平衡湿度法测定了头孢唑林钠的临界相对湿度，在２０℃时约为６７％。同时，通过破坏性实验考察了水分对其药效的影响，初步结果表明，水分每增加１％，效价降低约０．５％。据此，提出了分装操作的若干注意事项。     

多臂协调搬物系统的启发式分散控制

本文采用队决策模型将协调控制问题转为分散控制问题,并应用启发式寻优技术来解决分散控制中出现的信息缺损问题.这种启发式分散控制方法,能在启发式寻优的意义下使整个系统的目标函数达到次优,同时使原先繁重的在线计算负担分散化,提高了控制的实时性.     

Nucleotide binding domains of human CFTR: a structural classification of critical residues and disease-causing mutations.

Defective function of the cystic fibrosis (CF) transmembrane conductance regulator (CFTR) causes CF, the most frequent lethal inherited disease among the Caucasian population. The structure of this chloride ion channel includes two nucleotide-binding domains (NBDs), whose ATPase activity controls channel gating. Recently, the experimental structures of mouse and human CFTR NBD1 and our model of the human CFTR NBD1/NBD2 heterodimer have provided new insights into specific structural features of the CFTR NBD dimer. In the present work, we provide a structural classification of CF-causing mutations which may complement the existing functional classification. Our analysis also identified amino acid residues which may play a critical role in interdomain interaction and are located at the NBD1-NBD2 interface or on the surface of the dimer. In particular, a cluster of aromatic amino acids, which includes F508 and straddles the two NBDs, might be directly involved in the interaction of the NBD1/NBD2 heterodimer with the channel-forming membrane-spanning domains.Received 24 May 2005; received after revision 13 June 2005; accepted 18 June 2005     

An Application of Fuzzy Decision Theory in Combat Decision Simulation

In this paper a model of military command process under the combat situation is presented. The model is based on the Lanchester Equations and Fuzzy Decision Theory. The decision of a military commander is usually a process from precise to fuzzy and then from fuzzy to precise,and the model fitted this process well. The model was used in a Warfare Simulation System whose object is to evaluate the effectiveness of the military C3I systems.