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991.
A noble interaction: An assessment of noble gas binding ability of metal oxides (metal = Cu,Ag, Au) 下载免费PDF全文
Sudip Pan Ranajit Saha Anand Kumar Ashutosh Gupta Gabriel Merino Pratim K. Chattaraj 《International journal of quantum chemistry》2016,116(13):1016-1024
An in silico study is performed on the structure and the stability of noble gas (Ng) bound MO complexes (M = Cu, Ag, Au). To understand the stability of these Ng bound complexes, dissociation energies, dissociation enthalpy, and dissociation free energy change are computed. The stability of NgMO is also compared with that of the experimentally detected NgMX (X= F, Cl, Br). It is found that MO has lower Ng binding ability than that of MX. All the dissociation processes producing Ng and MO are endothermic in nature and for the Kr‐Rn bound MO (M = Cu, Au), and Xe and Rn bound AgO cases, the corresponding dissociation processes are turned out to be endergonic in nature at standard state. The Wiberg bond indices of Ng? M bonds and Ng→M electron transfer gradually increase from Ar to Rn and for the same Ng they follow the order of NgAuO > NgCuO > NgAgO. Energy decomposition analysis shows that the Ng? M bonds in NgMO are partly covalent and partly electrostatic in nature. Electron density analysis further highlights the partial covalent character in Ng? M bonds. © 2016 Wiley Periodicals, Inc. 相似文献
992.
建立了用阴离子交换分离柱、化学抑制模式、电导检测测定系列离子液体中BF-4阴离子及其他杂阴离子(F-、Cl-、Br-)含量的方法,并用于在线监控离子液体合成工艺中阴离子杂质含量.确定淋洗液组成为1.6 mmol/L Na2CO3+3.9 mmol/L NaHCO3,流速为0.6 mL/min.本方法对所测阴离子检出限分别为50 μg/L(F-、Br-)和80 μg/L(BF-4);线性范围在3个数量级以上;r>0.999;回收率在98%~102%之间.方法用于对离子液体小试工艺样品分析及过程监控时,结果满意,样品的RSD小于2.6%(n=6). 相似文献
993.
本文讨论问题 ut=Auxx+f(x,t,u), ux|x=0=0,ux|x=1=0, u|t=0=u0(x)。 的解的渐近性质,将参考文献[1]的L^2范数估计 相似文献
994.
The correlations between two qubits belonging to a three-qubit system can violate the Clauser-Horne-Shimony-Holt-Bell inequality beyond Tsirelson's bound [A. Cabello, Phys. Rev. Lett. 88, 060403 (2002)]. We experimentally demonstrate such a violation by 7 standard deviations by using a three-photon polarization-entangled Greenberger-Horne-Zeilinger state produced by Type-II spontaneous parametric down-conversion. In addition, using part of our results, we obtain a violation of the Mermin inequality by 39 standard deviations. 相似文献
995.
波分复用技术是当今光纤通信系统中的关键技术之一。具有增加光纤通信系统容量的巨大潜力,集成光学复用技术对于单模光纤通信系统特别重要本文给出了一种集成光学复用器件的设计和制作,这种集成光学滤波器是在之切LiNbO3衬底上用非对称钛扩散条波导定向耦合器构成,它适于1.32μm和1.55μm波长耦合滤波。为了使单模光纤和条波导有效耦合,我们研制出了硅V型槽,并给出了一种光纤与波导的连接结构。提供了一种切实可行的途径。 相似文献
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998.
Pan Wang Dr. Jian-Wei Wang Prof. Wen-Hua Zhang Dr. Hongzhen Bai Prof. Guping Tang Prof. David J. Young 《化学:亚洲杂志》2021,16(19):2993-3000
Nanoformulations of mononuclear Pt complexes cis-PtCl2(PPh3)2 ( 1 ), [Pt(PPh3)2(L−Cys)] ⋅ H2O ( 3 , L−Cys=L-cysteinate), trans-PtCl2(PPh2PhNMe2)2 ( 4 ; PPh2PhNMe2=4-(dimethylamine)triphenylphosphine), trans-PtI2(PPh2PhNMe2)2 ( 5 ) and dinuclear Pt cluster Pt2(μ-S)2(PPh3)4 ( 2 ) have comparable cytotoxicity to cisplatin against murine melanoma cell line B16F10. Masking of these discrete molecular entities within the hydrophobic core of Pluronic® F-127 significantly boosted their solubility and stability, ensuring efficient cellular uptake, giving in vitro IC50 values in the range of 0.87–11.23 μM. These results highlight the potential therapeutic value of Pt complexes featuring stable Pt−P bonds in nanocomposite formulations with biocompatible amphiphilic polymers. 相似文献
999.
We prove the Lp boundedness of Marcinkiewicz integral operators with rough kernels on ℝn and T n. 相似文献
1000.
A proximal gradient descent method for the extended second-order cone linear complementarity problem
We consider an extended second-order cone linear complementarity problem (SOCLCP), including the generalized SOCLCP, the horizontal SOCLCP, the vertical SOCLCP, and the mixed SOCLCP as special cases. In this paper, we present some simple second-order cone constrained and unconstrained reformulation problems, and under mild conditions prove the equivalence between the stationary points of these optimization problems and the solutions of the extended SOCLCP. Particularly, we develop a proximal gradient descent method for solving the second-order cone constrained problems. This method is very simple and at each iteration makes only one Euclidean projection onto second-order cones. We establish global convergence and, under a local Lipschitzian error bound assumption, linear rate of convergence. Numerical comparisons are made with the limited-memory BFGS method for the unconstrained reformulations, which verify the effectiveness of the proposed method. 相似文献