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A.F. Zahm 《Journal of The Franklin Institute》1948,245(4):331-336
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Quantum chemistry is based on the solution of the Schrödinger equation for a molecule. From starting data on the positions and nature of constituent atoms information is provided about the energy of the molecule and its electronic properties. The former can indicate what shapes drugs can adopt in binding to pharmacological receptors whilst electronic details, when compared using computer graphics, may highlight the factors responsible for biological activity. These techniques are beginning to show real successes in the design of drug molecules. 相似文献
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F. M. Reza 《Journal of The Franklin Institute》1985,320(6)
The normal family of linear (time-variant) n-ports is introduced as the most natural extension of ordinary scalar driving-point immittance behaviour. The normality induces a certain symmetry and simplicity which merits due emphasis in future n-port research investigations. As an application of the concept of normality the overdamped-underdamped criterion is extended to n-ports. Also, an interesting problem of maximal power transfer is solved and the absolute energy invariant index calculated. This paper invites attention to the development of circuit synthesis procedures based on the algebraic structure of the normal family. 相似文献
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Large-scale assessments often use a computer adaptive test (CAT) for selection of items and for scoring respondents. Such tests often assume a parametric form for the relationship between item responses and the underlying construct. Although semi- and nonparametric response functions could be used, there is scant research on their performance in a CAT. In this work, we compare parametric response functions versus those estimated using kernel smoothing and a logistic function of a monotonic polynomial. Monotonic polynomial items can be used with traditional CAT item selection algorithms that use analytical derivatives. We compared these approaches in CAT simulations with a variety of item selection algorithms. Our simulations also varied the features of the calibration and item pool: sample size, the presence of missing data, and the percentage of nonstandard items. In general, the results support the use of semi- and nonparametric item response functions in a CAT. 相似文献