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221.
一类非线性单调型方程的区域分裂法 总被引:1,自引:0,他引:1
本文考虑了一类非线性单调问题的加性Schwgrz交替法和异步平行算法,并得到了在能量模意义下的收敛性结果,最后还讨论了格式的有限元离散。 相似文献
222.
一类Narcissistic反应过渡态的优化 总被引:1,自引:0,他引:1
我们对一类narcissistic 反应XCH_2-CH_2Y→[过渡态TS]→YCH_2—CH_2X (1)进行了研究,结果表明其过渡态能在对称性限制下由能量极小化方法较容易地给出. 采用IMSPAK分子轨道从头算程序,在IBM VM/370计算机系统上用STO—3G极小基组以平衡几何构型的能量梯度优化方法,在对称性限制下对反应(1)的几种反应体系的过渡态构型进行了优化,其结果列于表1. 相似文献
223.
Thermal Rate Constants of the N(^4S)+O2(X^3∑g^-) → NO(X^2Ⅱ) +O(^3P) Reaction on the ^2A′ Potential Energy Surface
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A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N(^4S)+O2(X^3∑g^-) → NO(X^2Ⅱ) +O(^3P) reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O2 molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000 K determined in this work for the reaction are 4.4 × 10^7, 1.8 × 10^10, and 3.1 × 10^11 cm^3mol^-1s^-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values. 相似文献
224.
225.
Observation of spontaneous pattern with six-fold symmetry in disk-shaped ZnO complex microstructures
L.W. Yang Y.J. Gao X.L. Wu Y.M. Yang G.S. Huang Z.Y. Zhang P.K. Chu 《Applied Physics A: Materials Science & Processing》2007,89(1):173-176
Using a simple vapor phase transport technique, we have fabricated unique complex disk-shaped ZnO microstructures comprising
a small disk coaxially grown on a large one and observed spatially perfect six-fold symmetric patterns. The observed results
can be explained based on the spontaneous nanoindentation (NI) effect under the geometric constraints and the explanation
can be extended to fathom the growth mechanism of other highly symmetrical ZnO nanostructures. Our results indicate that NI
not only can elucidate the mechanical properties of surfaces and thin films but also is an effective approach to fabricate
ordered nanostructures with high precision on the location of the building blocks.
PACS 81.16.Rf; 81.07.-b; 81.05.Dz 相似文献
226.
227.
A fluoroionophore sensor, N-[4-(1-pyrene)butyroyl]-L-tryptophan (PLT), has been reported. It can distinguish lead ion from other 12 metal ions via forming a pyrene dimer and it exhibits a very high sensitivity (0.15 microM) in aqueous solution (Chem. Commun., 2006, 2702). When the indole moiety in PLT was changed to benzene, in forming a new fluoroionophore of N-[4-(1-pyrene)butyroyl]-L-phenylalanine (PLP), it could not form a pyrene dimer in response to Pb(2+) in water. The present study describes the spectroscopic clarification of the intrinsic differences of the binding model between PLP and PLT in binding with Pb(2+). The model shows identical chelating bidentate coordination between COO(-) and Pb(2+) both in PLP-Pb and PLT-Pb; however, there is no indication of the interaction between the phenyl ring and the metal ion or the hydrogen bonding between amide groups in PLP-Pb. These differences in the binding model between PLP-Pb and PLT-Pb illustrate that the indole ring in PLT appears to play a crucial role in the high selectivity and sensitivity of PLT to lead(II) ion. 相似文献
228.
通过光谱响应特性实验和记录/读出图像实验,研究了基因变异型细菌视紫红质(BRD96N)分子膜对单色光的光调制特性.发现BRD96N分子膜在550nm—600nm范围内对调制光有吸收增强的现象,且对此范围内不同波长的单色光其调制程度有差异.利用曲线拟和方法发现550nm—600nm吸收增强的变化过程分为快过程和慢过程,其对应的时间常数分别为30s和5min.利用强度调制器的吸收强度与图像灰度之间的关系,分析了560nm—600nm范围内出现图像反转的实验现象.
关键词:
细菌视紫红质D96N分子膜
光谱响应
吸收增强现象
图像反转现象 相似文献
229.
230.
Q.-Y. Shao A.-D. Li J.-B. Cheng H.-Q. Ling D. Wu Z.-G. Liu N.-B. Ming C. Wang H.-W. Zhou B.-Y. Nguyen 《Applied Physics A: Materials Science & Processing》2005,81(6):1181-1185
LaAlO3 (LAO) gate dielectric films were deposited on Si substrates by low-pressure metalorganic chemical vapor deposition. The interfacial structure and composition distribution were investigated by high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), secondary-ion mass spectroscopy (SIMS), and Auger-electron spectroscopy (AES). HRTEM confirms that there exists an interfacial layer between LAO and Si in most samples. AES, SIMS, and XPS analyses indicate that the interfacial layer is compositionally graded La–Al silicate and the Al element is severely deficient close to the Si surface. Electrical properties of LAO films were evaluated. No evident difference in electrical properties between samples with and without native SiO2 layers was observed. The electrical properties are discussed in terms of LAO growth mechanisms, in relation to the interfacial structure. PACS 73.40.Qv; 81.15.Gh; 77.55.+f; 68.35.-p 相似文献