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991.
Teobald Kupka Adrianna Mnich Małgorzata A. Broda 《Magnetic resonance in chemistry : MRC》2019,57(8):489-498
Nuclear shieldings and chemical shifts of 5-fluorocytosine (5FC) were predicted in the gas phase and DMSO solution modeled by polarizable continuum model using B3LYP density functional and revised STO(1M)-3G basis set. For comparison, eight arbitrary selected basis sets including STO-3G and medium-size Pople-type and larger dedicated Jensen-type ones were applied. The former basis sets were significantly smaller, but the calculated structural parameters, harmonic vibrational frequencies, were very accurate and close to those obtained with larger, polarization-consistent ones. The predicted 13C and 1H chemical shieldings of 5FC and cytosine, selected as parent molecule, were acceptable (root mean square for 13C chemical shifts in DMSO of about 5 ppm and less) though less accurate than those calculated with large basis sets, dedicated for prediction of nuclear magnetic resonance parameters. 相似文献
992.
Denote by and , respectively, the smallest and the largest cardinality of a minimal generating set of a finite group G. The Tarski irredundant basis theorem implies that for every k with there exist a minimal generating set , an index and in G such that is again a minimal generating set of G. In this case we say that is an immediate descendant of ω. There are several examples of minimal generating sets of cardinality smaller than which have no immediate descendant and so it appears an interesting problem to investigate under which conditions an immediate descendant exists. In this paper we discuss this problem in the case of finite soluble groups. 相似文献
993.
在煤矿突发事故初期,时间的紧迫性和环境的复杂性导致应急救援决策中的评估信息存在不确定性,传统基于确数的决策方法难以适用,对此本文提出了一种基于直觉模糊软集(IFSSs)的煤矿应急救援决策方法。首先对现有IFSSs熵公理化定义中的不合理之处进行修正,进而据此构造新的IFSSs熵计算公式,并通过与既有IFSSs熵公式的对比算例表现了新公式的合理性和有效性。然后基于新熵公式给出属性综合权重的确定方法,再利用推广的TOPSIS方法对预案进行排序以确定最优煤矿应急救援预案。最后将本文提出的方法应用于某煤矿应急救援实例。结果表明,基于IFSSs的煤矿应急救援决策方法能充分利用和有效处理不确定性的信息,具有更好的决策分辨效果,可以为煤矿突发事故的应急救援提供决策支持。 相似文献
994.
995.
996.
We consider random sets with values in a separable Banach space. We study set-valued amarts, L1-amarts, uniform amarts and submartingales. For all these classes of random sets, we prove convergence theorems in all main modes of set convergence (weak, Wijsman, Mosco, and Hausdorff). We also prove new convergence theorems for vector-valued subpramarts and pramarts. 相似文献
997.
孙文兵 《浙江大学学报(理学版)》2019,46(5):543-549
在分形集 Rα(0<α≤1)上定义了广义预不变凸函数, 建立了关于广义预不变凸函数的 Hermite-Hadamard积分不等式。 构建了一个与广义预不变凸函数相关的局部分数阶积分恒等式, 由此恒等式并利用广义Hölder不等式和广义幂均不等式得到了关于此类函数的几个Hermite-Hadamard型局部分数阶积分不等式。 结果推广了已有研究中的一些结论。 相似文献
998.
M. A. Goberna L. Hernández M. I. Todorov 《Journal of Optimization Theory and Applications》2005,124(2):363-386
A linear inequality system with infinitely many constraints is polynomial [analytical] if its index set is a compact interval of the real line and all its coefficients are polynomial [analytical] functions of the index on this interval. This paper provides sufficient conditions for a given closed convex set to be the solution set of a certain polynomial or at least analytical system.The authors are indebted to Dr. J. M. Almira for valuable comments and suggestions. 相似文献
999.
This paper presents reachability results for a linear control system and arbitrary terminal pointsp inR
n
with controls constrained within a compact setU containing the origin. The well-known results forp=0 are then a special case of our results.Geometric properties of the reachable set are presented and include: general containment properties which describe conditions that guarantee the inclusion of a reachable set in another reachable set; classification of the set of all pointsp that ensure the equivalence of two (different) reachable sets and the properties of this set.The topological properties of the reachable set to a pointp depends on the control setU, the final pointp, and the location of the spectrum of the system in the complex plane. We characterize the geometric properties of the reachable set when the spectrum lies in the closed right-half plane, the open left-half plane, or a combination of both.This work was supported in part by NSF Grant ECS-86-09586. 相似文献
1000.
Artur Oscar Lopes 《Journal of statistical physics》1988,52(3-4):571-575
The exact complex potential generated by the maximal measure for a family of rational maps is given. The results are of analytical nature because the complex potential does not change nicely if the coordinates of a rational map are changed. There exist applications of this result to the theory of moments. 相似文献