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41.
42.
Alain Estve Adeline Bail Georges Landa Ahmed Dkhissi Marie Brut Mehdi Djafari Rouhani Jan Sudor Anne-Marie Gu 《Chemical physics》2007,340(1-3):12-16
Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior. 相似文献
43.
Off-the-shell anomalous factors of the two-body Coulomb transition matrices appear in the integral form of the Faddeev second-order
nuclear-electronic amplitude, for proton-hydrogen charge transfer scattering in a typical nlm → n′l′m′ transition. A symmetric-impulse approximation (SIA) is applied to eliminate these factors and an induction method is proposed
to analytically calculate the remaining integrals. The nuclear-electronic amplitude is derived for the general case, and for
totally symmetric collisions, in terms of generalized hypergeometric functions of two variables, F
4, and of one variable, 3
F
2, respectively. The angular distribution of the second-order nuclear-electronic charge transfer amplitude shows the Thomas
mechanism as a peak or a hump for symmetric and asymmetric collisions. There also exists a peak in the forward angular distribution
of the second-order nuclear-electronic amplitude, which partly cancels the kinematic peak in the angular distribution of the
charge transfer differential cross sections. 相似文献
44.
We prove that, in Euclidean space, any nonnegatively curved, compact, smoothly immersed hypersurface lies outside the convex hull of its boundary, provided the boundary satisfies certain required conditions. This gives a convex hull property, dual to the classical one for surfaces with nonpositive curvature. A version of this result in the nonsmooth category is obtained as well. We show that our boundary conditions determine the topology of the surface up to at most two choices. The proof is based on uniform estimates for radii of convexity of these surfaces under a clipping procedure, a noncollapsing convergence theorem, and a gluing procedure. 相似文献
45.
46.
Hamid R. Memarian Mohammad Bagheri Dietrich D?pp 《Monatshefte für Chemie / Chemical Monthly》2004,42(3):833-838
In continuation of previous work some novel 3,5-diacetyl-1,4-dihydropyridine derivatives were synthesized and their photochemical behavior was studied under oxygen and argon atmosphere. Oxidation of the dihydropyridine ring and formation of pyridine derivatives was the result of the reaction. The presence of oxygen affects not only on the rate of oxidation, but also the formation of some unidentified by-products was observed on irradiation under this atmosphere. 相似文献
47.
Mohammad Reza Ganjali Morteza Rezapour Mohammad Reza Pourjavid Masoud Salavati-Niasari 《Analytical sciences》2003,19(8):1127-1131
A cobalt(II) derivative was used as a suitable ionophore for the preparation of a polymeric membrane nitrite-selective electrode. The electrode reveals a Nemstian behavior over a very wide NO2- ion concentration range (1.0 x 10(-6)-1.0 x 10(-1) M) and a very low detection limit (5.0 x 10(-7) M). The potentiometric response is independent of the pH of solution in the pH range 4.0-9.5. The electrode shows advantages such as low resistance, fast response and, most importantly, good selectivity relative to a wide variety of inorganic and organic anions. In fact, the selectivity behavior of the proposed NO2- ion-selective electrode shows great improvements compared to the previously reported electrodes for nitrite ion. The proposed electrodes could be used for at least 2 months without any significant changes in potentials. The electrode was successfully applied to the determination of nitrate ion concentrations in sausage and milk samples. 相似文献
48.
Determination of a control parameter in a one-dimensional parabolic equation using the method of radial basis functions 总被引:3,自引:0,他引:3
In this work, the method of radial basis functions is used for finding the solution of an inverse problem with source control parameter. Because a much wider range of physical phenomena are modelled by nonclassical parabolic initial-boundary value problems, theoretical behavior and numerical approximation of these problems have been active areas of research. The radial basis functions (RBF) method is an efficient mesh free technique for the numerical solution of partial differential equations. The main advantage of numerical methods which use radial basis functions over traditional techniques is the meshless property of these methods. In a meshless method, a set of scattered nodes are used instead of meshing the domain of the problem. The results of numerical experiments are presented and some comparisons are made with several well-known finite difference schemes. 相似文献
49.
50.
Spin-flip (paramagnetic) scattering and neutron depolarization studies were performed on Ce2Fe17 in its paramagnetic phase on the Dhruva neutron polarization analysis spectrometer. The absence of normalQ dependence of the scattered spin flip intensity shows that Ce2Fe17 is not a normal paramagnetic and there exist superparamagnetic clusters of sufficiently large dimensions (~100Å). The observed neutron depolarization gives an indication of the dynamics of these Ce2Fe17 superparamagnetic clusters. 相似文献