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
   原子坐标 的翻译结果: 查询用时:0.908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
 

原子坐标
相关语句
  atomic coordinates
     The structure parameters (atomic coordinates and anisotropic temperature parameters)was refined, by full-matrix least squares calculations to a final R=0.106 for 887 reflexion.
     对全部原子坐标参数和各向异性温度参数由887个衍射作全矩阵最小二乘修正、最终偏离因子R=0.106。
短句来源
     By using the C 60 molecular I n symmetry and vector operation approach,and imtroducing an adjustable parameter,the atomic coordinates in moleculae with C 60 construction which is an icosahedron cutted out twelve vertices were calculated in this paper.
     运用 C60 分子的 In 对称性及矢量运算方法 ,引入调节参数 λ计算了正二十面体被截取顶角后的具有 C60 分子结构的原子坐标 .
短句来源
     Based on these data,the atomic coordinates,bond central coordinates and face central coordinates of C 60 moleculae in C 60 crystal were also calculated,where the C 60 molecular two fold axes are along the crystal axes.
     并计算了在 C60 面心立方晶体中 ,C60 的二次轴与晶轴取向一致时的各碳原子坐标、键中心坐标和面心坐标 .
短句来源
     Except that the six cases from Cc to C2/c have been confirmed in the literature, the atomic coordinates of the structures in higher symmetry are listed.
     9例从Cc到C2 /c ,除Cc修正到C2 /c的 6例已见诸文献外 ,列出其余 6例在较高对称空间群下的原子坐标
短句来源
     The atomic coordinates and the root-mean-square amplitudes (from 0.013 to 0.025nm, recalculated from the anisotropic displacement parametefs) gave no evidence for a lower symmetry (neither the corresponding noncentrosymmetric space group nor any other subgroup).
     原子坐标和均方根振幅(据各向异性位移参数计算,O.013—0.025nm)表明,没有必要降低对称性,即没有必要采用相应的非中心对称空间群或其它次群。
短句来源
更多       
  atomic coordinate
     The atomic coordinate and temperature factors were refined to a final R value of 0.0459.
     用重原子法确定结构,用反常散射法确定了结构的绝对构型。 原子坐标和各向同性,各向异性温度因子参数经全矩阵最小二乘修正后,最终偏离因子R=0.0459
短句来源
  “原子坐标”译为未确定词的双语例句
     The X, Y and Z coordinates of the atom O which were refined by the authors are 0.2637, 0.1137, 0.0706, respectively.
     经笔者对瑶岗仙钨铅矿晶体结构修正得到的氧原子坐标为:X=0.2637,Y=0.1137,Z=0.0706;
短句来源
     The structure has been refined by full-matrix least-squares procedure to R = 0.043 for 2258 [I≥ 3σ(I)] independent reflections.
     各原子坐标及热振动参数经全矩阵最小二乘方修正,对于2258个独立衍射点(I≥3σI)],偏离因子R=0.043。
短句来源
     In this work,we introduce a method that determind the coordinates of an atom in rare earth compounds Sm 2Fe 17 C x ,and calculated some atoms coordinates. In the other hand we calculate the coefficient of crystal field of compounds Sm 2Fe 17 and Sm 2Fe 17 C x using point charge model repectively.
     介绍了一种确定稀土化合物Sm2Fe17Cx晶格中原子坐标的方法,给出了部分原子坐标,并用点电荷模型分别计算了Sm2Fe17和Sm2Fe17Cx化合物晶场系数.
短句来源
     For large U_2C_3 and U_2N_3 complex cells the difference of theoretical lattice constant and the experimental value is less than 3%, and the difference of coordination of atom is less than 5%.
     采用所构建的赝势可以对U2C3、U2N3等复杂大晶胞结构化合物进行全优化,晶格常数相差小于3%,原子坐标相差小于5%.
短句来源
     The cell of Ti2C and the position corrdinates of Ti and C atoms were determined with the knowledge of electron diffraction and crystallography, the regulations of carbon vacancy order distribution were also discussed.
     根据电子衍射理论和晶体学理论确定了Ti2C晶体的晶胞大小和晶胞中Ti、C原子坐标,并讨论了C空位的有序排列规律。
短句来源
更多       
查询“原子坐标”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。
  atomic coordinates
The atomic coordinates and interatomic distances are reported.
      
The atomic coordinates and interatomic distances in the structure are reported.
      
The atomic coordinates and thermal parameters are also determined.
      
The atomic coordinates and the thermal factors in the isotropic approximation were refined by the Rietveld method at 290 and 10 K.
      
The atomic coordinates in the unit cell of VOTP and the Madelung energies for the unit cells of VOTP and tetragonal potassium tungsten bronze are calculated.
      
更多          
  atomic coordinate
There are now over 8000 atomic coordinate entries in the Brookhaven Protein Data Bank, of which over 900 relate to experimentally determined structures of nucleic acids and nucleic acid/protein complexes.
      
The angle between the valence bonds of the chalcogen atom is considered a generalized atomic coordinate.
      
The advantages of this approach are shown: generation of 3D structural models using experimental diffraction data and subsequent structure determination by atomic coordinate analysis.
      
A Green function technique is used to account for each atom as a partial charge at its atomic coordinate.
      
Alternatively, it can be any other atomic coordinate file in PDB format uploaded directly by the user.
      
更多          


The crystal structure of sodium tetraselenite has a monoclinic unit cell with a=5.90A, b=4.82A, c=10.19A, β = 91°20', which contains 2 {NaH3(SeO2)2}. The space group is Gs2-Pn.The equatorial Weissenberg photograph h0l indicates that the projection of the structure onto the plane (010) has a pseudo plane group p6m and a pseudo unit cell with a' = 5.94A, b'=5.90A, r' = 119°50'. The pseudo plane group helped to fix the selenium and sodium atoms in the projection (Figure 1) and the Patterson projectionP(v, w) gave...

The crystal structure of sodium tetraselenite has a monoclinic unit cell with a=5.90A, b=4.82A, c=10.19A, β = 91°20', which contains 2 {NaH3(SeO2)2}. The space group is Gs2-Pn.The equatorial Weissenberg photograph h0l indicates that the projection of the structure onto the plane (010) has a pseudo plane group p6m and a pseudo unit cell with a' = 5.94A, b'=5.90A, r' = 119°50'. The pseudo plane group helped to fix the selenium and sodium atoms in the projection (Figure 1) and the Patterson projectionP(v, w) gave the values of their y coordinates. Then, the selenium and sodium atomswere seen to be distributed according to the space group C2h5 - P21/m. The oxygenatoms were located by a modified Fourier method. The Fourier projections p(x,z) and p(y, 2) (Figure 2 and 3) confirm the structure (Table 2 and Figure 4) satisfactorily.The pyramidal molecule SeO(OH)2 and ion [SeO2(OH)]- in the crystal correspond to the symmetrical structure formulaerespectively, where Se-OH = 1.75-1.82A and Se = O = 1.66-1.69A (Figure 5). The molecules SeO(OH)2 and ions [SeO2(OH)]- are linked through the hydrogen bonds O-H…O = 2.46-2.83A to form infinite chains of composition H3(SeO3)2 (Figure 6) and these chains are held together laterally by the sodium ions between them. The sodium ions are coordinated octahedrally by oxygen atoms (Figure 7).

单斜晶体NaH_3(SeO_3)_2的晶胞参数为α=5.90(?),b=4.82(?),c=10.19(?),β=91°20′。晶胞中含有2{NaH_3(SeO_3)_2}。密度的计算值和观测值各为3.22_4和3.21±0.01克/厘米~3。根据系统消光,晶体结构中存在着滑移面n。最后根据全部原子的坐标值肯定晶体的空间群为C_3~2—Pn。 根据Weissenberg图hOl上各衍射点的分布情况,可为结构在(010)面上的投影引出一个a′=5.94(?),b′=5.90(?),γ′=119°50′的假六方单位,投影的假二维空间群为p6m。假六方单位的a′=1/2(c-α),b′=α如图1中所示。Patterson投影P(u,w)肯定了图1中Se和Na原子的x,z坐标,而P(v,w)给出了它们的y坐标。从这些坐标值看来,晶体中的Se和Na原子系按空间群C_(2h)~5-P2_1/n分布。依靠上述重原子的坐标值并按空间群C_2h~5计算了电子密度分布函数ρ(x,z)和ρ(y,z)。计算结果指出,晶胞中的O原子系按空间群C_3~2分布。最后按空间群C_3~2对上述电子密度分布函数逐步进行修改,使O原子有了明确的表...

单斜晶体NaH_3(SeO_3)_2的晶胞参数为α=5.90(?),b=4.82(?),c=10.19(?),β=91°20′。晶胞中含有2{NaH_3(SeO_3)_2}。密度的计算值和观测值各为3.22_4和3.21±0.01克/厘米~3。根据系统消光,晶体结构中存在着滑移面n。最后根据全部原子的坐标值肯定晶体的空间群为C_3~2—Pn。 根据Weissenberg图hOl上各衍射点的分布情况,可为结构在(010)面上的投影引出一个a′=5.94(?),b′=5.90(?),γ′=119°50′的假六方单位,投影的假二维空间群为p6m。假六方单位的a′=1/2(c-α),b′=α如图1中所示。Patterson投影P(u,w)肯定了图1中Se和Na原子的x,z坐标,而P(v,w)给出了它们的y坐标。从这些坐标值看来,晶体中的Se和Na原子系按空间群C_(2h)~5-P2_1/n分布。依靠上述重原子的坐标值并按空间群C_2h~5计算了电子密度分布函数ρ(x,z)和ρ(y,z)。计算结果指出,晶胞中的O原子系按空间群C_3~2分布。最后按空间群C_3~2对上述电子密度分布函数逐步进行修改,使O原子有了明确的表现,并取得了图2和图3中的结果。晶胞中各原子的坐标值按空间群C_3~2列于表2中。晶体结构示出于图4中。 晶体中三角锥形的分子SeO(OH)_2和离子[SeO_2(OH)]各相当于对称结构式 其中Se—OH=1.75—1.82(?),Se=O=1.66—1.69(?)(图5)。分子SeO(OH)_2和离子[SeO_2(

~~

在104型通用快速电子计算机上编制了旨在解决晶体结构分析中几个基本计算任务的标准程序库,它包括五个方面(已经完成和将要完成)的标准程序:1)计算二维及三维的电子密度函数和Patterson函数的程序;2)计算三维的结构振幅的程序;3)最小二乘法修正结构参数(原子坐标、各向异性热运动参数及比例因子K)的程序;4)计及PL因子、温度因子和K因子等使衍射强I(hkl)变换为结构因子|F(hkl)|~2的程序,以及计算单位结构振幅|F(hkl)|的程序;5)若干辅助程序。

~~

(CH_2COOH)_2NCH_2COOAg属于单斜晶系,单位晶胞中包含有四个分子,晶胞周期为α=7.61_1,b=4.98_4,c=23.25,β=104°52′。空间羣为P2_1/c(C_2~5)。用柏特森及电子密度函数方法获得了原子坐标。键长C—C=1.51,N—C=1.48,C—0=1.28及Ag—O=2.23—2.73。指出了在分子之间具有较强的氢键O…O=2.54。

 
<< 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原子坐标的内容
在知识搜索中查有关原子坐标的内容
在数字搜索中查有关原子坐标的内容
在概念知识元中查有关原子坐标的内容
在学术趋势中查有关原子坐标的内容
 
 

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