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1.
A fully quantitative theory of the relationship between protein conformation and optical spectroscopy would facilitate deeper insights into biophysical and simulation studies of protein dynamics and folding. In contrast to intense bands in the far-ultraviolet, near-UV bands are much weaker and have been challenging to compute theoretically. We report some advances in the accuracy of calculations in the near-UV, which were realised through the consideration of the vibrational structure of the electronic transitions of aromatic side chains.  相似文献   
2.
We describe a new algorithm which uses the trajectories of a discrete dynamical system to sample the domain of an unconstrained objective function in search of global minima. The algorithm is unusually adept at avoiding nonoptimal local minima and successfully converging to a global minimum. Trajectories generated by the algorithm for objective functions with many local minima exhibit chaotic behavior, in the sense that they are extremely sensitive to changes in initial conditions and system parameters. In this context, chaos seems to have a beneficial effect: failure to converge to a global minimum from a given initial point can often be rectified by making arbitrarily small changes in the system parameters.  相似文献   
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Summary A lower bound is established for the strip discrepancy of a broad class of point distributions. The bound implies unbounded strip discrepancy for equally weighted point distributions under favorable conditions. The methods of proof use notions from integral geometry.  相似文献   
4.
A finite-deformation theory is developed to study the mechanics of thin buckled films on compliant substrates. Perturbation analysis is performed for this highly nonlinear system to obtain the analytical solution. The results agree well with experiments and finite element analysis in wavelength and amplitude. In particular, it is found that the wavelength depends on the strain. Based on the accurate wavelength and amplitude, the membrane and peak strains in thin films, and stretchability and compressibility of the system are also obtained analytically.  相似文献   
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Accurate estimates of the propagation impairments that affect link quality and availability and determine signal interference fields are essential for the reliable design of telecommunication systems and the efficient use of the electromagnetic spectrum. Recent announcements by commercial entities of their intent to use Ka-band spectrum to supply satellite services have heightened interest in propagation data and models for these frequencies. This paper provides a brief overview of Ka-band Earth-satellite systems and requirements in relation to the need for specific types of propagation data  相似文献   
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Characterization of autocatalytic decomposition reactions is important for the safe handling and storage of energetic materials. Isothermal differential scanning calorimetry (DSC) has been widely used to detect autocatalytic decomposition of energetic materials. However, isothermal DSC tests are time consuming and the choice of experimental temperature is crucial. This paper shows that an automatic pressure tracking calorimeter (APTAC) can be a reliable and efficient screening tool for the identification of autocatalytic decomposition behavior of energetic materials. Hydroxylamine nitrate (HAN) is an important member of the hydroxylamine family. High concentrations of HAN are used as liquid propellants, and low concentrations of HAN are used primarily in the nuclear industry for decontamination of equipment. Because of its instability and autocatalytic decomposition behavior, HAN has been involved in several incidents.  相似文献   
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Lim  S. Rogers  R.L. Ling  H. 《Electronics letters》2005,41(18):993-994
Electrically small spiral ground planes for a monopole and an electrically small antenna have been designed for HF ground wave transmission. Prototype ground planes have been built and tested. For the monopole, the transmission loss of the designed ground plane is 6 dB better than that of the same size ground radials. For the electrically small antenna, the transmission loss of the designed ground plane is 7 dB better than that of the same size solid ground plane at the antenna's operating frequency.  相似文献   
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