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排序方式: 共有445条查询结果,搜索用时 15 毫秒
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José Elguero Ibon Alkorta Janet E. Del Bene 《Magnetic resonance in chemistry : MRC》2020,58(8):727-732
Equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) calculations have been performed to determine coupling constants 1J(X–Y) for 65 molecules HmX–YHn, with X,Y ═ 1H, 7Li, 9Be, 11B, 13C, 15N, 17O, 19F, 31P, 33S, and 35Cl. The computed 1J(X–Y) values are in good agreement with available experimental data. The reduced coupling constants 1K(X–Y) have been derived from 1J(X–Y) by removing the dependence on the magnetogyric ratios of X and Y. Patterns are found for the reduced coupling constants on a 1K(X–Y) surface that are related to the positions of X and Y in the periodic table. 相似文献
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Over the last two hundred years, there have been many occasions where the name of a newly-discovered element has provoked
controversy and dissent but in modern times, the naming of elements after scientists has proved to be particularly contentious.
Here we recount the threads of this story, predominantly through discourses in the popular scientific journals, the first
major discussion on naming an element after a scientist (Moseley); the first definitive naming after a scientist (Curie);
and the first naming after a living scientist (Seaborg). 相似文献
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Mohammad Reza Darafsheh Arash Darafsheh Ali Reza Ashrafi 《International journal of quantum chemistry》2007,107(2):340-344
Using nonrigid group theory, the full nonrigid (f‐NRG) group of 1,3,5‐trimethylbenzene (TMB) is shown to be isomorphic to the group S3[C3] = C3 S3 of order 162, where denotes the wreath product of groups, and C3 is the cyclic group of order three and S3 is the symmetric group of order six on three letters. This group has 22 conjugacy classes and irreducible representations. The character table of the full nonrigid TMB is then derived for the first time. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
77.
用查找表搜索匹配方法标定CRT 总被引:3,自引:2,他引:1
传统的查找表法在标定CRT 时,假定CRT 单枪作用时所显示颜色的色品坐标恒定不变,而实际上却有较大变化,对标定的精度有较大的影响。因此提出用一种三维搜索匹配方法对查找表法进行改进,提高了CRT 的标定精度。 相似文献
78.
等效电子组态(l1+l1-)的谱项波函数及能量矩阵的电子杨表表示 总被引:4,自引:0,他引:4
把电子组态(l^1 l^1-)给出的填布杨图称为电子杨表,给出了有关电子杨表与无微扰波函数之间的对应关系式,证明了电子杨表的正交归一性质,给出了电子组态(l^1 l^1-)谱项波函数的电子杨表表示,证明了由电子杨表给出的(l^1 l^1-)电子组态的能量矩阵为对角矩阵。 相似文献
79.
Network science has been widely applied in theoretical and empirical studies of global value chain (GVC), and many related articles have emerged, forming many more mature and complete analytical frameworks. Among them, the GVC accounting method based on complex network theory is different from the mainstream economics in both research angle and content. In this paper, we build up global industrial value chain network (GIVCN) models based on World Input–Output Database, introduce the theoretical framework of Social Capital, and define the network-based indicators with economic meanings. Second, we follow the econometric framework to analyze the hypothesis and test whether it is true. Finally, we study how the three types of capital constituted by these indicators interact with each other, and discuss their impact on the social capital (economic development level, i.e., GDP). The results prove that the structural capital (industrial status) has a positive impact on the social capital; the relational capital (industrial correlation) has a positive impact on both social capital and structural capital; the cognitive capital (industrial structure) has a small impact on the social capital, structural capital, and relational capital. 相似文献
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