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排序方式: 共有427条查询结果,搜索用时 15 毫秒
1.
K. V. Usenko 《Optics and Spectroscopy》2007,103(2):196-201
The contradiction between the fidelity necessary to determine the entanglement of states and the noise accompanying high-precision measurements is discussed. The unitary nonequivalence of quantum field representations in different regions of space leads to an additional noise, analogously to the Unruh effect. The cause of this noise is eliminated by rejecting the assumption of statistical independence of single-particle states of the quantum field. The smearing of one-particle states eliminates the reasons for the appearance of the Unruh noise and, simultaneously, leads to imaginary entanglement due to overlapping of these states. 相似文献
2.
Binding of bis-picolylamine-naphthalene diimide-peptide nucleic acid conjugates to complementary DNA is strongly dependent upon Zn2+; ultimately, hybridization is switched ON in the presence muM Zn2+. 相似文献
3.
19F and 31P NMR spectroscopy were used to study the kinetics of the hydrolysis of LiPF6 in the homogenous solvent system propylene carbonate (PC)—dimethyl carbonate (DMC)—H2O. It was found that the main products of the hydrolysis are HF, LiPO2F2 and Li2PO3F. The content of POF3 and PF5 was negligibly low. We set up a hypothesis that the main factor determining the rate of the process is the so-called ‘secondary’ catalytic effect, caused by solvated H+ ions. 相似文献
4.
The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method. 相似文献
5.
The rare-earth intermetallic compounds (RE)12Co5Bi (RE = Y, Gd, Tb, Dy, Ho, Er, Tm) were prepared by arc-melting and annealing at 600 degrees C. These compounds extend the previously known (RE)6M2+xX1-x (M = Co, Ni; X = Ga, In, Sn, Pb) series with the Ho6Co2Ga-type structure to X = Bi. The crystal structure of Ho12Co5Bi was refined by the Rietveld method from powder X-ray diffraction data obtained using synchrotron radiation (Pearson symbol oI36, orthorhombic, space group Immm, Z = 2, a = 9.37598(14) A, b = 9.37871(14) A, c = 9.85465(13) A). Unlike other Ho6Co2Ga-type compounds, the 2a site in Ho12Co5Bi is exclusively occupied by Co atoms. Four-probe electrical resistivity measurements on sintered polycrystalline samples of (RE)12Co5Bi indicated metallic behavior. Magnetic measurements revealed behavior ranging from frequency-dependent maxima in the ac susceptibility for Y12Co5Bi to possible ferrimagnetic ordering for Gd12Co5Bi to antiferromagnetic ordering with metamagnetic transitions for the remaining compounds. As confirmed by band structure calculations using Y12Co5Bi as a model compound, Y-Y and Y-Co interactions are the most important bonding components, but matrix effects are likely responsible for anomalously short Co-Co contacts in the structure. 相似文献
6.
7.
Andriy B. Zaborovskiy Ruslan E. Prystansky Vitaliy I. Timokhin 《Journal of organometallic chemistry》2004,689(18):2912-2919
The interaction of (Me3Si)3SiH with O2 is known to afford (Me3SiO)2Si(H)SiMe3 in which the two oxygen atoms arise from the same oxygen molecule. In order to investigate the mechanism of this unusual reaction, the oxidation rates were measured in the temperature range 30-70 °C by following oxygen uptake in the presence and absence of hydroquinone as inhibitor. The rate constant for the spontaneous reaction of (Me3Si)3SiH with O2 was determined at 70 °C to be ∼3.5 × 10−5 M−1 s−1. A sequence of the propagation steps is proposed by combining the previous and present experimental findings with some theoretical results obtained at the semiempirical level. These calculations showed that the silylperoxyl radical (Me3Si)3SiOO undergoes three consecutive unimolecular steps to give (Me3SiO)2Si()SiMe3. Evidence has been obtained that the rate determining step is the rearrangement of silylperoxyl radical to a dioxirand-like pentacoordinated silyl radical. Our findings are of considerable importance for the understanding of the oxidation of hydrogen-terminated silicon surfaces. 相似文献
8.
Andriy V. Tkachuk 《Journal of solid state chemistry》2004,177(11):3939-3943
The isostructural ternary transition-metal silicides Zr3Mn4Si6 and Hf3Mn4Si6 can be prepared by direct reaction of the elemental components or by arc-melting. The single-crystal structure of Zr3Mn4Si6 was determined by X-ray diffraction (Pearson symbol tP104, tetragonal, space group P42/mbc, Z=8, , ). Zr3Mn4Si6 is isostructural to Nb3Fe3CrSi6 and contains an essentially ordered arrangement of the transition-metal atoms. Square antiprismatic clusters with Zr and Mn atoms at the corners and Si atoms at the center share opposite faces to form one-dimensional columns extending along the c direction. These columns occupy channels that are outlined by a framework of edge- and face-sharing MnSi6 octahedra. The extensive metal-metal interactions in the structure are complemented by Si-Si bonding in the form of dumbbells, linear chains, and zigzag chains. 相似文献
9.
Joe Willis Ivona Bravi Rekha R. Schnepf Karen N. Heinselman Bartomeu Monserrat Thomas Unold Andriy Zakutayev David O. Scanlon Andrea Crovetto 《Chemical science》2022,13(20):5872
Phosphides are interesting candidates for hole transport materials and p-type transparent conducting applications, capable of achieving greater valence band dispersion than their oxide counterparts due to the higher lying energy and increased size of the P 3p orbital. After computational identification of the indirect-gap semiconductor CaCuP as a promising candidate, we now report reactive sputter deposition of phase-pure p-type CaCuP thin films. Their intrinsic hole concentration and hole mobility exceed 1 × 1020 cm−3 and 35 cm2 V−1 s−1 at room temperature, respectively. Transport calculations indicate potential for even higher mobilities. Copper vacancies are identified as the main source of conductivity, displaying markedly different behaviour compared to typical p-type transparent conductors, leading to improved electronic properties. The optical transparency of CaCuP films is lower than expected from first principles calculations of phonon-mediated indirect transitions. This discrepancy could be partly attributed to crystalline imperfections within the films, increasing the strength of indirect transitions. We determine the transparent conductor figure of merit of CaCuP films as a function of composition, revealing links between stoichiometry, crystalline quality, and opto-electronic properties. These findings provide a promising initial assessment of the viability of CaCuP as a p-type transparent contact.We synthesize air-stable, p-type CaCuP thin films with high hole concentration and high hole mobility as potential p-type transparent conductors. We study their optoelectronic properties in detail by advanced experimental and computational methods. 相似文献
10.
Nataliya Zelisko Dmytro Atamanyuk Olexandr Vasylenko Andriy Bryhas Vasyl Matiychuk Andrzej Gzella Roman Lesyk 《Tetrahedron》2014
Various novel thiopyrano[2,3-d][1,3]thiazol-2-one-6-carboxylic acids derivatives were synthesized in 54–86% yields via hetero-Diels–Alder reactions and related acylation-based tandem processes of 5-arylidene-4-thioxo-2-thiazolidinones with crotonic, propiolic, and cynnamic acids derivatives. Stereo- and regioselectivity of cycloaddition were investigated. 相似文献