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多重度
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  “多重度”译为未确定词的双语例句
     The results show that the spin multiplicity of the system was determined by Ti atoms of Ti_2N.
     结果表明Ti_2N中体系的自旋多重度由Ti原子决定.
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     The multiplicities of tetramers follow the order of Nb 4
     三种团簇的多重度以Nb4
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     The results indicate that the spin-multiplicity states of the ground-state clusters are respectively 4,3,2,1,2 and 1,and FeB_4 is the most stable of the clusters.
     结果表明基态团簇的自旋多重度分别为4,3,2,1,2和1,其中FeB4团簇比较稳定.
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     U5f-O2p bond dominates in the U-O bonding, while there are strong bonds between U6p, U6d, U7s and d-s hybridizing orbitals with O2s aloud orbital. The calculated results with dif- ferent spin multiplicity show that the ground state of UO_2~(2+) prefer ~1∑_g~+.
     同时, U6p U7s、 U6d和 Usd杂化轨道与 O2s间也有强的相互作用.不同自旋多重度时对铀酰离子总 能量计算结果表明,UO_2~(2+)的基态为~1∑_g~+的可能性更大。
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     Methods A density functional theory was used when the geometry optimization and frequencies analysis were performed by Gauss98 code under the UB3LYP/LanL2DZ level, considering the spin of electron.
     方法采用密度泛函理论(DFT),在UB3LYP/LanL2DZ水平下用Gauss98程序对各构型进行几何优化和频率分析,同时考虑了电子的多重度
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  相似匹配句对
     A CLINICAL STUDY ON MULTIPLE ORGAN IMPAIRMENT IN NEONATAL SEVERE ASPHYXIA
     重度窒息新生儿脏器损害的分析
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     A study on multiple organ dysfunction syndrome in the neonates with perinatal severe asphyxia
     新生儿重度窒息脏器功能不全的研究
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     Multiple target Tracking
     目标跟踪
短句来源
     TRACKING OF MULTIPLE TARGETS
     目标跟踪
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     severe: 3, which cannot be suffered.
     3重度,不能忍受。
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In this survey 20 patients with AHA were studied. The youngest patient was 2 months old and the eldest 13 years. In the majority of patients, anemia is severe with a sudden onset. In 75% of these patients the disease were induced by various acute infections. 18 cases contain the warmreacting antibody in the serum, 1 case was diagnosed as acute cold agglutinin disease and 1 case had paroxysmal cold hemoglobinuria. All of these cases were followed-up for 3 months to61/2 years, two cases died from the underlying...

In this survey 20 patients with AHA were studied. The youngest patient was 2 months old and the eldest 13 years. In the majority of patients, anemia is severe with a sudden onset. In 75% of these patients the disease were induced by various acute infections. 18 cases contain the warmreacting antibody in the serum, 1 case was diagnosed as acute cold agglutinin disease and 1 case had paroxysmal cold hemoglobinuria. All of these cases were followed-up for 3 months to61/2 years, two cases died from the underlying diseases. In this paper the etiology, the characteristics of clinical manifestations, and the antibody type, particularly for red cell autoagglutination (RAA) were discussed. It is suggested that warm antibody type AHA too may show RAA.

本文分析了小儿自身免疫性溶血性贫血20例,年龄从2月~13岁。起病多急骤(18例)贫血多重度(17例),按病因分析:有诱因可查者占75.0%,均为各种感染。按抗体类型分析:温抗体型18例,急性冷凝集素病、阵发性寒冷性血红蛋白尿各1例。随访3月到6(1/2)年,死亡2例,死因主要为原发疾病。文章就临床特点、病因、抗体类型等进行了讨论,特别为本组4例温抗体型病例发生显著红细胞自身凝集现象,进行了研究。

For speeding up and time-saving in the calculation of potential energy curve using quantum chemical Ab initio method some efficient algorithm techniques are reported taken the systems Zn_2~+ and Zn_2~(32+) as an example.The molecular integrals in the points which belong to two curves respectively and have the same geometry configurations despite possible difference for their spin multiple or electron number can be evaluated once enough with the speed of computation increasing by several times.During the change...

For speeding up and time-saving in the calculation of potential energy curve using quantum chemical Ab initio method some efficient algorithm techniques are reported taken the systems Zn_2~+ and Zn_2~(32+) as an example.The molecular integrals in the points which belong to two curves respectively and have the same geometry configurations despite possible difference for their spin multiple or electron number can be evaluated once enough with the speed of computation increasing by several times.During the change of the whole geometry configuration the molecular integrals of the kept still local needn't be evaluated repeatedly.The difference of the corresponding two-electron integrals between two neighbor points and its distribution are exposed and it is proposed that most of the two-electron integrals with four different indices would be used each other for neighbor points.After the similarity of the wave funcfion properties for neighbor points is researched quantitatively, it is shown that the acquired wave function is a good approximation for neighbor points and can be used as their trial one with the necessary iteration number to be reduced by about 1/6 in SCF procedure.These techniques are also useful for the calculation of potential energy surface using Ab initio method.

本文以Zn_2~+与Zn_2~(2+)体系势能曲线从头计算法研究为例,探讨了提高计算速度的若干有效算法。对两个体系有同样构型r_(Z_n—Z_n)的那些点,可使用同样的分子积分,还可用于不同自旋多重度的体系,使计算速度提高若干倍。分析邻近构型波函数相似特点,将已自洽的某一构型波函数作为邻近构型的初探波函数,使叠代次数下降到通常算法的六分之一左右,且有利于避免振荡与假收敛。从邻近构型双电子积分差值分布,认为绝大多数运算复杂的四指标不同的双电子积分可借用邻近构型的计算结果,不影响计算精度。在整个构型改变中,总有不变的局部结构,它们内部的双电子积分只要计算一次,供整条曲线上各点使用。

By using the branching diagram on number of states of (?)iycn spin multiplicity arising from N unpaired electrons, and the bilateral sy(?)metry of all arrangements for ±M_L, a simple method for obtainig term syml(?) from a configuration of equivalent electrons is deduced. Furuhermore, on (?)metrical properties of vecior coupling coefficients, a more simple rule for (?)b'aining term symbols from a configuration of two equivalent electrons is postulated.

我们利用未成对电子数与给出自旋多重度2S+1的状态数的分支图,并根据±M_L的所有状态的排列是对称出现的性质,导出一个推引等价电子组态谱项的简便方法。另外,根据矢量耦合系数的对称性质,引出一个推导二个等价电子组态谱项的更简单的规则。

 
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