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191.
192.
Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1∏ of 7LiH 下载免费PDF全文
The reasonable dissociation limit of the second excited singlet state
B1∏ of 7LiH molecule is obtained. The accurate dissociation energy and
equilibrium geometry of the B1\Pi state are calculated using a
symmetry-adapted-cluster configuration--interaction method in full active space. The
whole potential energy curve for the B1∏ state is obtained over the
internuclear distance ranging from about 0.10nm to 0.54nm, and has a least-square
fit to the analytic Murrell--Sorbie function form. The vertical excitation energy is
calculated from the ground state to the
B1∏ state and compared with previous theoretical results. The
equilibrium internuclear distance obtained by geometry optimization is found to be
quite different from that obtained by single-point energy scanning under the same
calculation condition. Based on the analytic potential energy function, the harmonic
frequency value of the B1∏ state is estimated. A comparison of the
theoretical calculations of dissociation energies, equilibrium interatomic distances
and the analytic potential energy function with those obtained by previous
theoretical results clearly shows that the present work is more comprehensive and in
better agreement with experiments than previous theories, thus it is an improvement
on previous theories. 相似文献
193.
朱方生 《武汉大学学报(理学版)》1995,(3)
构造了线性二次型最优控制的并行算法,介绍了这个并行算法在武汉大学“WUDP91”并行分布式处理系统上试算的数值应用软件的框图.本软件适用于既定动态系统的平衡问题.对于经济系统,可通过政策控制变量来调节和改善其状态和响应.对于自治系统可找出最优控制使得消耗函数达到最小值.通过对一系列例子进行试算,结果证实,所构造的并行算法和相应的数值软件是有效的,其加速比约为7. 相似文献
194.
Measurement of small-signal and large-signal responses of packaged laser modules at high temperature
Ning Hua Zhu Ji Min Wen Hai Peng Song Shang Jian Zhang Liang Xie 《Optical and Quantum Electronics》2006,38(15):1245-1257
In this paper, the pulsed injection method is extended to measure the chip temperature of various packaged laser modules,
such as the DFB laser modules, the FP laser modules, and the EML laser modules. An optimal injection condition is obtained
by investigating the dependence of the lasing wavelength on the width and period of the injection pulse in a relatively wide
temperature range. The small-signal frequency responses and large-signal performances of packaged laser modules at different
chip temperature are measured. The adiabatic small-signal modulation characteristics of packaged LD are first extracted. In
the large-signal measurement, the effects of chip temperature, bias current and driving signal on the performances of the
laser modules are discussed. It has been found that the large-signal performances of the EML modules depend on the different
red-shift speeds of the DFB and EAM sections as chip temperature varying, and the optimal characteristics may be achieved
at higher temperature. 相似文献
195.
196.
Nianchen Zhou Wenjian Xu Yu Zhang Jian Zhu Xiulin Zhu 《Journal of polymer science. Part A, Polymer chemistry》2006,44(4):1522-1528
2,2,6,6‐Tetramethyl‐4‐[d‐(+)‐10‐camphorsulfonyl]‐1‐piperidinyloxy was synthesized and used as a chiral nitroxide for the bulk polymerizations of styrene initiated with benzoyl peroxide (BPO), tetraethylthiuram disulfide (TETD), and thermal initiation. The results showed that the polymerizations proceeded in a controlled/living way; that is, the kinetics presented approximately first‐order plots, and the number‐average molecular weights of the polymers with narrow molecular weight distributions (weight‐average molecular weight/number‐average molecular weight) increased with the monomer conversion linearly. The molecular weight distributions in the case of thermal initiation were narrower than those in the case of BPO and TETD, whereas the polymerization rate with BPO or TETD as an initiator was obviously faster than that with thermal initiation. In addition, successful chain‐extension reactions were carried out, and the structures of the obtained polymers were characterized by gel permeation chromatography and 1H NMR. The specific rotations of the polymers were also measured by polarimetric analysis. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1522–1528, 2006 相似文献
197.
以七元瓜环(Q[7])和新型椭圆型改性瓜环———对称四甲基取代六元瓜环(TM eQ[6])为主体,4,4′-联吡啶的盐酸盐(44)以及N,N′-二甲基4,4′-联吡啶的盐酸盐(dm44)为客体的主客体相互作用进行了考察.实验结果表明,Q[7]与客体44及dm44作用体系中,客体为了更有效地被主体Q[7]包结,在Q[7]内腔中呈倾斜状分布的几率最高.用核磁共振、循环伏安以及紫外吸收光谱对实验结果进行了印证和补充,验证了TM eQ[6]与客体44及dm44可发生较强的相互作用,形成一维的自组装超分子结构.核磁共振以及循环伏安方法的实验结果表明,没有观察到Q[6]与客体44及dm44的明显作用,而紫外吸收光谱方法证实,Q[6]与客体44确实存在一定的相互作用,比较主客体的结构特征,该作用体系也可能存在自组装的一维超分子结构等多种作用形式. 相似文献
198.
葛仙米对丁草胺胁迫的响应 总被引:2,自引:0,他引:2
研究了丁草胺对可食用蓝藻葛仙米(Nostoc sphaeroides)生理和代谢活性的影响.用不同浓度的丁草胺处理葛仙米,结果显示低浓度(5 mg·L-1)丁草胺使其光合作用、呼吸作用和光合系统Ⅱ活性增强,高浓度丁草胺(>5 mg·L-1)限制其光合作用、呼吸作用和光合系统Ⅱ活性.同时丁草胺对葛仙米膜结构和功能具有破坏作用,随着丁草胺处理浓度增大,质膜透性不断增大,丙二醛和超氧自由基阴离子含量升高;在低浓度丁草胺处理时,类胡萝卜素含量增加,超氧化物歧化酶(SOD)活性增强,高浓度丁草胺处理时,类胡萝卜素含量降低,SOD活性下降;表明葛仙米对低浓度的丁草胺胁迫具有一定的耐受能力,但高浓度的丁草胺对其生理和代谢构成威胁;针对目前葛仙米野生生境中丁草胺的用量,建议限制丁草胺在葛仙米产地的使用,以保护日益稀缺的葛仙米资源. 相似文献
199.
200.
半导体激光泵浦预激光锁模调Q固体激光器研究 总被引:1,自引:0,他引:1
报道半导体激光侧面泵浦预激光锁模调Q的Nd:YAG固体板条激光器,预激光锁模调Q的激光脉冲宽度为36ps,调Q包纤各心的锁模单脉冲能量超过7μJ,相应的峰值功率达200kW。 相似文献