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排序方式: 共有197条查询结果,搜索用时 15 毫秒
151.
The scalar Hamiltonian of nuclear spins in the presence of a static electric field supports chirality. However, the eigenvalues of the Hamiltonian are not chiral; hence, chirality is not manifested in the usual NMR experiment. In this work, we show that the magnetization response to certain radio frequency pulse sequences exhibits chirality as well as handedness. 相似文献
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Dr. Christopher P. Lepper Prof. Dr. Martin A. K. Williams Dr. Patrick J. B. Edwards Prof. Dr. Vyacheslav V. Filichev Prof. Dr. Geoffrey B. Jameson 《Chemphyschem》2019,20(12):1567-1571
The thermodynamic stability of a cytosine(C)-rich i-motif tract of DNA, which features pH-sensitive [C..H..C]+ moieties, has been studied as function of both pressure (0.1–200 MPa) and pH (3.7–6.2). Careful attention was paid to correcting citrate buffer pH for known variations that stem from changes in pressure. Once pH-corrected, (i) at pH >4.6 the i-motif becomes less stable as pressure is increased (KD decreases), giving a small negative volume change for dissociation (ΔDV°) of the i-motif – a conclusion opposite to that which would be drawn if the buffer pH was not corrected for the effects of pressure; (ii) the i-motif's melting temperature increases by more than 30 K between pH 6.5 and 4.5, the consequence of an enthalpy for dissociation (ΔDH°) of 77(3) and 90(3) kJ (mol H+)−1 at 0.1 and 200 MPa, respectively; (iii) below pH 4.6 at 0.1 MPa (pH 4.3 at 200 MPa) the melting temperature decreases as a result of double protonation of cytosine pairs, and ΔDH° and ΔDV° change signs; and (iv) the combination of ΔDH° and ΔDV° lead to the melting temperature at pH 4.3 being 3 K higher at 200 MPa than at 0.1 MPa. 相似文献
154.
Siva K. Nadarajah Matthew S. McMullen Antony Jameson 《International Journal of Computational Fluid Dynamics》2013,27(8):533-548
This paper presents an adjoint method for the optimum shape design of unsteady flows. The goal is to develop a set of discrete unsteady adjoint equations and the corresponding boundary condition for the non-linear frequency domain method. First, this paper presents the complete formulation of the time dependent optimal design problem. Second, we present the non-linear frequency domain adjoint equations for three-dimensional flows. Third, we present results that demonstrate the application of the theory to a three-dimensional wing. 相似文献
155.
The flux‐vector splitting scheme of Steger and Warming is a popular approach for the Euler equations. In this work, we consider the spectrum of the scheme and show for 1≤γ≤5/3, where γ is the ideal gas constant, that the eigenvalues are strictly real and of an appropriate sign. 相似文献
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Gavin R. Hedwig Geoffrey B. Jameson Harald Høiland 《Journal of solution chemistry》2014,43(4):804-820
Sound speeds have been measured for aqueous solutions of the nucleoside thymidine at T = 298.15 K and at the pressures p = (10, 20, 40, 60, 80, and 100) MPa. The partial molar volumes at infinite dilution, $ V_{2}^{\text{o}} $ , the partial molar isentropic compressions at infinite dilution, $ K_{S,2}^{\text{o}} $ , and the partial molar isothermal compressions at infinite dilution, $ K_{T,2}^{\text{o}} $ $ \{ K_{T,2}^{\text{o}} = - (\partial V_{2}^{\text{o}} /\partial p)_{T} \} $ , have been derived from the sound speeds at elevated pressures using methods described in our previous work. The $ V_{2}^{\text{o}} $ and $ K_{T,2}^{\text{o}} $ results were rationalized in terms of the likely interactions between thymidine and the aqueous solvent. The $ V_{2}^{\text{o}} $ results were also compared with those calculated using the revised Helgeson–Kirkham–Flowers (HKF) equation of state. 相似文献
160.
Cynthia J. Jameson 《Molecular physics》2013,111(4):999-1003
A Barker-Henderson like perturbation theory for polyatomic fluids is developed. The molecular interaction forces are assumed to be described by an interaction site model potential and the reference system is a fluid of hard interaction site model molecules. The theory is used to study the equation of state of nitrogen, the theoretical results being compared with experimental data and with those coming from other theories. The agreement between theory and experiment is as good as that shown by Barker and Henderson theory for monoatomic systems. 相似文献