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- The electronic structure of the bcc Fe (001)edge dislocation core is investigated using the first principles discrete variational method(DVM). 本文用密度泛函理论框架下的离散变分方法 (DVM)研究了bccFe[10 0 ](0 0 1)刃型位错体系的电子结构 ,给出了结合能、原子间相互作用能以及电荷转移信息。
- The chemisorption of Ce, Sm and Yb on Si(lll) surface are studied by calculation with local density formalism (LDF) and discrete variational method (DVM). 本文对几种稀土元素(铈、钐、镱)在硅表面的化学吸附进行了理论计算。
- The electronic structure of a Lindqvist type [Mo 7O 24 ] 6 anion with 5 different types of counterion(K +?Na +?NH 4 +? + and [NH 3Pr i] +) was calculated by using the Discrete Variational Method coupled with Density Functional Theory (DFT DVM). L indqvist型 [Mo7O2 4 ]6 - 是一类具有抗肿瘤活性的多酸药物。 运用密度泛涵理论中的离散变分方法(DFT- DVM)对一系列具有不同平衡离子的 [Mo7O2 4 ]6 -的电子结构进行了计算。
- The electronic structure of the Anderson flat type [H x PtMo 6O 24 ] (8- x )- ( x =3.5?4.5 and 6) anion was calculated by using the Discrete Variational Method together with Density Functional Theory (DFT-DVM). 运用密度泛涵理论中的离散变分方法 (DFT -DVM)对不同质子化程度的 [HxPtMo6O2 4]( 8-x) -(x =3.;5、4
- The electronic structures of Ca_3Co_2O_6 and Ni-doped ones are calculated using density functional and discrete variation method(DFT-DVM). 用离散变分密度泛函方法(DFT DVM)计算了钴酸盐Ca3Co2O6及其掺镍体系;讨论了电子结构;化学键等与热电性能之间的关系.
- Electronic structure, chemical bond and net charges of Ca_3Co_4O_9 system are studied by density function theory and discrete variation method (DFT-DVM). Ca_3Co_4O_9体系的计算是采用离散变分法对其电子结构、化学键和电荷分布等进行计算。
- The relations among composition, structure, chemical bond and property of composites of TiC/Al2O3 ceramic and doped series are studied by using density function and discrete variation method (DFT-DVM). 用离散变分密度泛函方法研究了TiC/ Al2O3与掺杂系列复合陶瓷材料,讨论了材料组成、结构、化学键与性能等之间的关系。
- The relations between electronic structure,chemical bond and thermoelectric property of misfit layered cobaltite of Ca_3Co_(4)O_9 and La-doped series are studied using density function and discrete variation method (DFT-DVM). 用离散变分密度泛函方法(DFT DVM)计算了失配层钴酸盐Ca3Co4O9及其掺La系列,讨论了电子结构、化学键等与热电性能之间的关系。
- discrete variational method 离散变分法
- The Momentum Profiles of Several Atoms Calculated by Discrete Variation Method 用离散变分方法计算几种原子的电子动量谱
- Electronic structures of (TATB)n(n = 1-4) and the interactions among TATB molecules are studied by density function and discrete variational (DFT-DVM) method. 用离散变分密度泛函方法(DFT-DVM)研究了(TATB)n,n=1-4的电子结构,讨论了TATB分子之间的相互用。
- Variational method for adaptive plane gridding image segmentation[J]. 引用该论文 郑毅;刘上乾.
- the discrete variational Xα method 离散变分Xα方法
- the discrete variational Xαmethod 离散变分Xα方法
- discrete variational molecular orbital method 离散变分分子轨道法
- discrete variation method 离散变分方法
- For SU(2) lattice gauge theory, Manton action is studied by means of improved variational method. 本文用改进变分法对SU(2)格点规范理论的Manton作用量进行了研究。
- Variational method and TDA approximation was applied to construct the SD pairs in the SD-pair shell model (SDPSM). 在SD对壳模型的理论框架下,利用变分法及TDA近似确定SD对结构。
- the discrete Variational Xαmetbod 离散变分Xα方法
- Combining PRISM theory, MD simulation and Variational method, a single-site semiflexible model is proposed to describe atactic polystyrene (aPS) melt. 结合PRISM理论、MD分子模拟和变分法,得到了可以描述聚苯乙烯熔体的单点半柔性链模型,提出了一个研究实际聚合物体系的有效方法。
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- 深远海浮式风电平台 - deep-sea floating wind power platform
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- 京雄高速公路 - Beijing-Xiongan expressway
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- 农业及相关产业增加值 - the added value of agriculture and related industries