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81.
Yen‐Chang Lin Chih‐Yuan Lin Yew Kam Ho 《International journal of quantum chemistry》2015,115(13):830-836
Atomic systems with exponential‐cosine‐screened Coulomb (ECSC) or static screened Coulomb (SSC) potentials have drawn considerable attention recently due to the possible applications to atoms in plasma environments. In this work, we develop a computing scheme to deal with the electron–electron correlation terms with the screened Coulomb interactions instead of the conventional expansion method using the Gegenbauer's addition theorem. Based on this approach, we investigate the helium atom with the ECSC potentials. Bypassing the complex expansion functions for electron–electron interactions, the proposed approach simplifies the calculations greatly and provides an advantage on programming. The results are found to be in good agreement with the existing data. Bound‐state energies, oscillator strengths, and multipole polarizabilities varying with the screening parameters are presented. Comparisons of the ECSC potentials are made with the SSC potentials. The influence of screening effect on the energies, oscillator strengths, and polarizabilities is discussed. © 2015 Wiley Periodicals, Inc. 相似文献
82.
Alexander Pirkl Klaus Dreisewerd Joanne Y. Yew Simone König 《Analytical and bioanalytical chemistry》2010,397(8):3311-3316
Field-based ion generation is described for ambient mass spectrometry. The technique allows the analysis of endogenously expressed chemicals and exogenously applied compounds directly from the cuticle of live insects in real time. Cuticular hairs serve as electric field-enhancing structures and play a key role in ion generation. Artificial emitters such as graphite whiskers or sharp metal tips replicate this effect. 相似文献
83.
Experimental values for a number of organolithium equilibria in THF solution expressed as pK values are compared with computational results at several theory levels. Solvation effects are considered only by coordination of lithium with two THF molecules. Best results are obtained with the hybrid density‐functional method mPW1PW91, which gives satisfactory results over a range of almost 40 pK units, but explicit thermal corrections to 25° are required. 相似文献
84.
Yu Ying He Li Guang Jiao Aihua Liu Henry E. Montgomery Jr. Yew Kam Ho 《International journal of quantum chemistry》2023,123(1):e27009
The static multipole polarizabilities of the hydrogen atom interacting with a screened Coulomb potential confined in an impenetrable spherical box are calculated in the sum-over-states formalism. The system eigenenergies and wave functions are produced by employing the generalized pseudospectral method. High-precision results are obtained to resolve the discrepancies between previous predictions, and used to analyze the critical behavior of the system with varying the confinement radius and screening parameter. A scaling law of the multipole polarizabilities with respect to the nuclear charge and electron reduced mass is proposed. Based on the scaling law we extend the investigation to the spatially confined positronium atom in a screened Coulomb potential by utilizing a reduced one-electron model. The results are in good agreement with previous estimates. However, it is conjectured that when the confinement radius is small the confined positronium atom should be treated more reasonably by an effective two-electron model. 相似文献
85.
Eugene Yew Kun Tan Amirah S. Mat Lani Wayne Sow Dr. Yuliang Liu Dr. Haoyu Li Prof. Dr. Shunsuke Chiba 《Angewandte Chemie (International ed. in English)》2023,62(40):e202309764
The facile construction of C(sp3)-rich carbo- and heterocyclic compounds is a pivotal synthetic strategy to foster contemporary drug discovery programs. The downstream dearomatization of readily accessible two-dimensional (2D) planar arenes represents a direct pathway towards accessing three-dimensional (3D) aliphatic scaffolds. Here, we demonstrate that polysulfide anions are capable of catalyzing a dearomatization process of substituted naphthalenes, indoles, and other related heteroaromatic compounds in the presence of potassium formate and methanol under visible light irradiation. The developed protocol exhibits broad functional group tolerance, operational simplicity, scalability, and cost-effectiveness, representing a practical and sustainable synthetic tool for the arene dearomatization. 相似文献
86.
Current conduction mechanisms through as-deposited and post-deposition annealed (200–800 °C) RF-magnetron sputtered Y2O3 gate oxides on n-type GaN have been systematically investigated with current–voltage measurements at temperature in the range of 25–175 °C. The possible current conduction mechanisms that govern the leakage current of Y2O3/GaN metal-oxide-semiconductor test structure are space-charge-limited conduction, Schottky emission, Poole–Frenkel emission, and Fowler-Nordheim tunneling. The dominance of these conduction mechanisms is depending on applied electric field and measurement temperatures. 相似文献
87.
88.
Second harmonic generation microscopy was conducted on rat-tail tendons with linearly and radially polarized beams. Transverse and axial field components were generated in the focal region through tight focusing of linearly and radially polarized. It was found that the generated SHG signals could not be qualitatively explained with a scalar approximation to the electric field at the focus. Only by accounting for the interactions of the axial and transverse components of the electric field interacting through the nonlinear susceptibility χ(2) tensor could the SHG images be explained. For the case of collagen we find that the SHG signal varies as a function of the analyzer angle with a cos2 or sin2 dependency for linearly polarized beams. For tightly focused radially polarized beams we find that the output SHG is radially polarized after collimation and is independent of the analyzer angle. 相似文献
89.
Yew Von Lim Haiming Fan Zexiang Shen Chiang Huen Kang Yuanping Feng Shijie Wang 《Applied Physics A: Materials Science & Processing》2009,95(2):555-562
The silica supported titania nanocomposite thin films with controllable particle size and phase content were successfully
prepared by a convenient post annealing approach involving in solid-solid interfacial reaction. The effects of growth conditions,
such as the annealing temperature and silicon concentration on the particle size and phase content, were systematically studied
by using Atomic force microscopy (AFM), Raman spectroscopy, X-ray diffraction (XRD), and X-ray spectroscopy (XPS). The results
indicate that the silicon concentration is a dominant factor in the morphology, crystallization and phase transformation of
these nanocomposites. A mechanism for the high temperature phase transformation is also proposed based on the migration of
the oxygen vacancies. 相似文献
90.
We examine the effects of tightly focusing a radially polarized beam with uniform, Gaussian, or Bessel-Gauss pupil functions. The resulting FWHM is smallest for the case of a uniform amplitude profile, while the Bessel-Gauss beam results in the largest FWHM. The uniform amplitude profile also results in an axial field component that increases fastest with increasing NA. The ratio of the axial component to the transverse component is also the greatest for the uniform pupil function. On the other hand, the Bessel-Gauss beam benefits the most from the use of an annulus. 相似文献