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排序方式: 共有263条查询结果,搜索用时 15 毫秒
1.
Mark Brouar Helen Chadwick Sean D. S. Gordon Cornelia G. Hei Balazs Hornung Bethan Nichols Jacek K?os Pablo G. Jambrin F. Javier Aoiz 《化学物理学报》2020,33(2):217-233
本文对NO(X)-Xe碰撞系统在碰撞能量为519 cm-1,测量了完全?-双峰分解的微分截面和碰撞引起的旋转准直力矩. 同时结合初始量子态选择,使用六极杆的非均质电场,借助量子态分辨的测量,利用(1+1'')共振增强的多光子电离和速度离子成像. 结果显示,微分截面以及偏振相关的微分截面均显示与从头算势能面上进行的量子力学散射计算[J. K?os etal. J. Chem. Phys. 137, 014312 (2012)]一致. 通过与准经典轨迹、硬壳势能的量子力学散射以及运动近端模型的比较,评估了势能对所测微分截面和碰撞引起的旋转准直力矩的影响. 相似文献
2.
B. Nichols H. Chadwick S. D. S. Gordon C. J. Eyles B. Hornung M. Brouard M. H. Alexander F. J. Aoiz A. Gijsbertsen S. Stolte 《Chemical science》2015,6(4):2202-2210
Rotationally inelastic collisions of NO(X) with Ar are investigated in unprecedented detail using state-to-state, crossed molecular beam experiments. The NO(X) molecules are selected in the Ω = 0.5, j = 0.5, f state and then oriented such that either the ‘N’ or ‘O’ end of the molecule is directed towards the incoming Ar atom. Velocity map ion imaging is then used to probe the scattered NO molecules in well-defined quantum states. We show that the fully quantum state-resolved differential steric asymmetry, which quantifies how the relative efficiency for scattering off the ‘O’ and the ‘N’ ends of the molecule varies with scattering angle, is strongly affected by quantum interference. Significant changes in both integral and differential cross sections are found depending on whether collisions occur with the N or O ends of the molecule. The results are well accounted for by rigorous quantum mechanical calculations, in contrast to both classical trajectory calculations and more simplistic models that provide, at best, an incomplete picture of the dynamics. 相似文献
3.
A generalized transverse wave is a propagating acceleration discontinuity on which the temperature and the entropy, together with their gradients, are continuous. In a heat-conducting elastic material the propagation and growth of such waves are uninfluenced by thermomechanical interaction. It is shown in this paper that in any given plane there is at least one direction in which a generalized transverse wave may propagate, and the existence is also proved of at least one direction in which a pair of generalized transverse waves may travel. Necessary and sufficient conditions are established for the speeds of propagation of these waves to be real. Relationships between transverse and generalized transverse waves are also studied, and in the last two sections of the paper the directions in which generalized transverse waves may propagate in an isotropic heat-conducting elastic material are systematically worked out and classified. 相似文献
4.
In the first part of the paper, consisting of Sections 2 and 3, physical grounds are adduced for weakening the concept of strictly entropic elasticity as applied to elastomeric materials. The resulting notion of modified entropic elasticity is shown to provide an alternative formulation of a model of rubberlike thermoelasticity proposed by Chadwick (1974). In the second part (Sections 4 and 5) Chadwick's model is generalized by allowing the deformation-dependent part of the internal energy to be a symmetric function of the principal stretches rather than depending only on their product, as in the original development. Consistently with the molecular theory of polymer networks, and with experimental findings, the extended model predicts that the deviatoric stress is not entirely entropic in origin, but arises in part from changes of internal energy. The energetic fraction of the retractive force in an extended cylinder is calculated and discussed in some detail and the paper concludes with a correlation of theoretical results with measurements on specimens of a lightly cross-linked natural rubber. 相似文献
5.
Y. Al-Angry S. Savin K. E. Rammutla M. J. Pooley E. R. H. Van Eck A. V. Chadwick 《辐射效应与固体损伤》2013,168(1-6):209-213
A problem in the study of nanoparticles is that they will tend to grow at moderate temperatures. For example, most oxides (e.g. SnO2, ZrO2, MgO) will show significant grain growth at 400°C. This severely limits experimental studies that require measurements over an extensive temperature range. In this contribution we demonstrate that the incorporation of A12O3, can significantly restrict grain growth in MgO and ZrO2 even at high temperatures. 相似文献
6.
7.
Vladimir Kardelis Ryan C. Chadwick Alex Adronov 《Angewandte Chemie (International ed. in English)》2016,55(3):945-949
A conjugated poly(phenyl‐co‐dibenzocyclooctyne) Schiff‐base polymer, prepared through polycondensation of dibenzocyclooctyne bisamine (DIBO‐(NH2)2) with bis(hexadecyloxy)phenyldialdehyde, is reported. The resulting polymer, which has a high molecular weight (Mn>30 kDa, Mw>60 kDa), undergoes efficient strain‐promoted alkyne–azide cycloaddition reactions with a series of azides. This enables quantitative modification of each repeat unit within the polymer backbone and the rapid synthesis of a conjugated polymer library with widely different substituents but a consistent degree of polymerization (DP). Kinetic studies show a second‐order reaction rate constant that is consistent with monomeric dibenzocyclooctynes. Grafting with azide‐terminated polystyrene and polyethylene glycol monomethyl ether chains of varying molecular weight resulted in the efficient syntheses of a series of graft copolymers with a conjugated backbone and maximal graft density. 相似文献
8.
S.J.F. Chadwick M.A. Gonzalez-Fernandez K. O’Grady 《Journal of magnetism and magnetic materials》2007
In this work we present a study of the effects of easy axis alignment on coupling effects in recording media. We have studied both particulate and thin film media representing both flexible and rigid disc materials. The texture in the systems has been determined via measurements of the angular dependence of remanence and the coupling determined using the well-established ΔM technique. In particulate media only dipolar coupling is present whereas in thin films intergranular exchange effects also occur. In our thin film samples the exchange coupling is weak so that dipolar effects dominate. We find that the dipolar effects in both systems increase with texture, increasing their dominance over exchange effects. 相似文献
9.
KL Britton HF Rogers Y Asano T Dairi Y Kato TJ Stillman DW Rice 《Acta crystallographica. Section D, Biological crystallography》1998,53(4):124-126
The novel NAD+-linked opine dehydrogenase from a soil isolate Arthrobacter sp. strain 1C belongs to an enzyme superfamily whose members exhibit quite diverse substrate specificites. Crystals of this opine dehydrogenase, obtained in the presence or absence of co-factor and substrates, have been shown to diffract to beyond 1.8 ? resolution. X-ray precession photographs have established that the crystals belong to space group P21212, with cell parameters a = 104.9, b = 80.0, c = 45.5 ? and a single subunit in the asymmetric unit. The elucidation of the three-dimensional structure of this enzyme will provide a structural framework for this novel class of dehydrogenases to enable a comparison to be made with other enzyme families and also as the basis for mutagenesis experiments directed towards the production of natural and synthetic opine-type compounds containing two chiral centres. 相似文献
10.