多重度

结果表明Ti2N中体系的自旋多重度由Ti原子决定。

The results show that the spin multiplicity of the system was determined by Ti atoms of Ti_2N .

自旋多重度对钛三聚体原子结构的影响

Effects of spin multiplicity on atomic structure of titanium trimer

Hund最大多重度规则的适用范围及理论解释

Explanation and Applicable Extent of Hund 's Maximum Multiplicity Rule

利用密度泛函理论中的广义梯度近似（GGA），在考虑自旋多重度后，预测了FeBN（N≤6）团簇的基态结构。

Taking account of spin-multiplicity states , the ground-state structures of FeB_N ( N ≤ 6 ) clusters have been predicted using the generalized gradient approximation ( GGA ) density functional theory .

对两个体系有同样构型r（Zn&Zn）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。

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 .

用DFT方法对NiB3双重态和四重态两种多重度的各种可能构型进行高水平的ABINITIO计算，发现B原子之间存在较强的相互作用，对NiB3体系的稳定性有很大贡献。

Ab initio calculations at high level were performed for the series of NiB 3 with doublet state and quartet state . It was found that there is very strong interaction between B atoms , which has a great contribution to stability for NiB 3 system .

本文用DFT方法对Ni2B分子双重态和四重态两种多重度进行高水平的ABINITIO计算，结果发现B以sp，sp2两种杂化方式同Ni成键，并且B带有相反的电荷；

Ab initio calculations at high level were performed for the series of Ni 2B with doublet state and quartet state . It was found that B combines with Ni in term of two different hybrid forms , sp , sp 2 , and B with opposite charge ;

其中，自旋多重度的计算结果与实验相符。

The results about spin multiplicities are in agreement with the experimental value .

不要立刻给关联指定多重度。

Don 't immediately assign multiplicities to associations .

构象对同位乙烯双自由基体系基态自旋多重度及其稳定性影响的理论研究

Theoretical Studies on Effect of Conformation on the Spin Multiplicity Ground State in Parity Ethylene Type Biradical System and Stability

得到了它们的基态能量，基态自旋多重度，分子轨道组成与能级，电荷分布与键序。

The total energies , spin multiplicities , charge distribution , bond orders , the front molecular orbital compositions and orbital energies have been obtained .

发现自旋多重度对钛三聚体的原子结构有重要的影响，特别是对键长和振动频率。

The results indicate that effects of spin multiplicity on atomic structure of titanium trimer are remarkable , especially for bond distances and vibrational frequencies .

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。

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 .

基于密度泛函理论，获得了钛三聚体在不同自旋多重度下的原子结构，并计算了对应的振动频率。

Atomic structures of titanium trimer have been obtained at different spin multiplicities by means of density functional theory ( DFT ) method . Also , vibrational frequencies of corresponding atomic structures were calculated .

发作时血钾水平多为重度低血钾，发作间期完全正常。

Serum potassium levels are of severe low-grade , completely normal during the interictal period .

2组对照发现抑郁组多见重度偏瘫和大脑半球梗死者。

Severe hemiplegia and infarction of cerebral hemisphere were frequently seen in the depression subgroup .

结果42例Hp阳性DU患者，胃窦粘膜病理多呈中重度炎性变化；

Results in 42 Hp-positive DU patients , the antral mucosal biopsy showed moderate or severe inflammatory changes , the plasma and antral mucosal SS were significantly decreased , the D cell counts were also decreased quantitively .

芦荟多糖对重度创伤失血性休克大鼠早期肠保护的研究

Research of Early Protective Effects for Intestine of Aloe Polymer on Severe Traumatic-hemorrhagic Shock in Rats

目的观察置入气管支架对复发性多软骨炎重度气管软化的疗效及不良反应。

Objective To evaluate the therapeutic and adverse effects of metallic intratracheal stent placement in relapsing polychondritis with severe tracheobronchial malacia .

结论气管支架对复发性多软骨炎重度气管软化，有良好的缓解症状，改善生活质量的作用。

Conclusions Metallic intratracheal stent placement can really relieve symptoms and improve the life quality in patients with tracheobronchial malacia caused by relapsing polychondritis .

结果感染HP患儿的过敏性紫癜有病程长、易反复发作且多有腹型紫癜表现的特点，胃镜下多表现为重度炎症及溃疡。

Results Allergic purpura patients with HPI had long course and relapsed requently , most of them were abdominal purpura type with severe inflammation and ulceration in the gastricendoscope .