助手标题  
全文文献 工具书 数字 学术定义 翻译助手 学术趋势 更多
查询帮助
意见反馈
   spin multiplicity 的翻译结果: 查询用时:0.141秒
图标索引 在分类学科中查询
所有学科
物理学
化学
更多类别查询

图标索引 历史查询
 

spin multiplicity
相关语句
  自旋多重度
     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.
短句来源
     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。
短句来源
     The effect of conformation on the spin multiplicity of ground state and it′s stability were investigated for parity ethylene type biradical system by means of comparative study with DFT, CASSCF and QCISD(T) methods.
     用 DFT,CASSCF和 QCISD( T)方法 6-3 1 G*基组计算了构象对同位二取代乙烯双自由基体系基态自旋多重度及其稳定性的影响 .
短句来源
     Effects of spin multiplicity on atomic structure of titanium trimer
     自旋多重度对钛三聚体原子结构的影响
短句来源
     The straight line and fold line structures of Nb2Rh2 have the weak-strong alternately bonds and all the structures are stable under low spin multiplicity.
     在Nb_2Rh_2直线和折线构型中,金属键有强弱交替的现象. Nb_2Rh_2的各种构型在自旋多重度较小时稳定.
短句来源
更多       
  “spin multiplicity”译为未确定词的双语例句
     In the present paper, the synthesis, structure, reactivity, spectroscopic chracteri-zation and spin multiplicity of trimethylenemethane (TMM), vinyl-trimethylenemethane, te-tramethyleneethane (TME) and thier analogues, 2,3-dimethylenecyclopentadiene and thier he-terologues, tetramethylenebenzene, pentamethylenepropane and non-Kekule' acene have beenreviewed.
     本文综述了三亚甲基甲烷(TMM)、乙烯基三亚甲基甲烷、四亚甲基乙烷(TME)及其同系物、2,3-二亚甲基环戊二烯及其杂原子同系物、四亚甲基苯、五亚甲基丙烷和非Kekule’? 省等的合成、结构、活性、光谱特性及自旋多重态。
短句来源
     There exists a generally accepted observation that the efficiency is limited to 25% of that of photoluminescence, based simply on the statistics of spin multiplicity, for recombination of pair of electron and hole (both spin 1/2) .
     基于量子统计理论的研究结果表明,只有25%的电子空穴复合能量生成单线态激子,对于一个纯荧光的发光材料,在理论上,其器件效率的上限是先致发光效率的25%。
短句来源
     The calculated results show that there is a strong interaction between the Mo center and dinitrogen and the V…NN interaction is relatively weak, whereas the Fe center cannot bind N_2. The homocitrate ring opening in the simplified Mo-containing fragment in the FeMoco was predicted to be manipulable by controlling the spin multiplicity and oxidation state of the transition metal complex.
     计算结果表明,对于单过渡金属中心体系,钼与N2存在强的相互作用,钒与N2相互作用较弱,铁不能有效地结合N2.通过质子化过渡金属模型体系中高柠檬酸二齿配体的羧基氧,并改变金属中心的价态和体系的自旋态,可以调控羧基氧与金属配位键的生成与断裂.
短句来源
     In this work, we study the structure of EuC using B3LYP and MCSCF meth ods, and we obtain the spin multiplicity of EuC ground state is 12. The difference in resul t between LUMO and HOMO is 3.689 eV using B3LYP method, which is higher than that of other electro nic states.
     本文分别采用Gaussian98程序的密度泛函B3LYP方法和Gamess程序的CAS-MCSCF方法,研究了EuC分子的结构问题。 两种方法均得到了12重态是EuC分子的基态的结论。
短句来源
     From the results of MCSCF we think, in order to obtain the more reliable results of high spin multiplicity, it is needed to include spin-orbit effects and increase the active space during the c alculation.
     基于B3LYP方法,得到12∑+态的LUMO和HOMO能量差达到3·689eV,明显的高于其他多重度的结果。 基于MCSCF方法的结果显示,需要进一步的考虑相对论效应修正以及增大活性空间的尺寸将会得到对高自旋电子态更为可靠的结论。
短句来源
更多       
  相似匹配句对
     Effects of spin multiplicity on atomic structure of titanium trimer
     自旋多重度对钛三聚体原子结构的影响
短句来源
     ON THE ELECTRONIC SPIN
     关于电子自旋两则
短句来源
     The Power of Spin
     旋转的力量
短句来源
     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.
短句来源
     Multiplicity of neonatal anemia
     新生儿贫血的多因素分析
短句来源
查询“spin multiplicity”译词为用户自定义的双语例句

    我想查看译文中含有:的双语例句
例句
为了更好的帮助您理解掌握查询词或其译词在地道英语中的实际用法,我们为您准备了出自英文原文的大量英语例句,供您参考。
  spin multiplicity
The spin multiplicity of the charged molecules can be obtained by -1 (or +1 for TbO+, DyO+, YbO- and YbO+) compared with the corresponding neutral molecules.
      
The spin multiplicity is regular for neutral and charged molecules.
      
For the ground state, the spin multiplicity of the charged species can be obtained by ±?1 of their corresponding neutral species.
      
Surprisingly enough the ground-state happens to be of intermediate spin multiplicity (i.e.
      
By using this simple rule, many polycyclic conjugated hydrocarbons possessing high spin multiplicity are hypothesized.
      
更多          


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。

The non-Kekule'polyenes are some special π-conjugated biradicals in which the un-paired electrons are part of a classical π-system but are topologically prevented from forminga π-bond. In the present paper, the synthesis, structure, reactivity, spectroscopic chracteri-zation and spin multiplicity of trimethylenemethane (TMM), vinyl-trimethylenemethane, te-tramethyleneethane (TME) and thier analogues, 2,3-dimethylenecyclopentadiene and thier he-terologues, tetramethylenebenzene, pentamethylenepropane and...

The non-Kekule'polyenes are some special π-conjugated biradicals in which the un-paired electrons are part of a classical π-system but are topologically prevented from forminga π-bond. In the present paper, the synthesis, structure, reactivity, spectroscopic chracteri-zation and spin multiplicity of trimethylenemethane (TMM), vinyl-trimethylenemethane, te-tramethyleneethane (TME) and thier analogues, 2,3-dimethylenecyclopentadiene and thier he-terologues, tetramethylenebenzene, pentamethylenepropane and non-Kekule' acene have beenreviewed.

非Kekule’多烯是一类特殊的π-共轭双自由基,虽然其未配对电子是π体系的一部分,但它们无法被表示成一个π键。本文综述了三亚甲基甲烷(TMM)、乙烯基三亚甲基甲烷、四亚甲基乙烷(TME)及其同系物、2,3-二亚甲基环戊二烯及其杂原子同系物、四亚甲基苯、五亚甲基丙烷和非Kekule’?省等的合成、结构、活性、光谱特性及自旋多重态。

Geometry and electronic structure of uranyl cations have been calculated with harmonic vibration analysis, using relativistic effective core pseudopotential (RECP) method. The calculable bond lengthes and vibrational frequencies have compared favorably with experimental value. 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...

Geometry and electronic structure of uranyl cations have been calculated with harmonic vibration analysis, using relativistic effective core pseudopotential (RECP) method. The calculable bond lengthes and vibrational frequencies have compared favorably with experimental value. 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~+.

用相对论赝势的从头算法研究了铀酰离子的几何构型和电子结构.得到了与实验数据较 一致的键长、健角和IR振动频率.铀氧间以 U5f与 O2p相互作用为主,U6d与 O2p间的健合较小; 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。

 
<< 更多相关文摘    
图标索引 相关查询

 


 
CNKI小工具
在英文学术搜索中查有关spin multiplicity的内容
在知识搜索中查有关spin multiplicity的内容
在数字搜索中查有关spin multiplicity的内容
在概念知识元中查有关spin multiplicity的内容
在学术趋势中查有关spin multiplicity的内容
 
 

CNKI主页设CNKI翻译助手为主页 | 收藏CNKI翻译助手 | 广告服务 | 英文学术搜索
版权图标  2008 CNKI-中国知网
京ICP证040431号 互联网出版许可证 新出网证(京)字008号
北京市公安局海淀分局 备案号:110 1081725
版权图标 2008中国知网(cnki) 中国学术期刊(光盘版)电子杂志社