valence shell 价层(23) 没有找到相关双语例句 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。   valence shell The driving force behind the rules of the valence shell electron pair repulsion model 例句来源       Ab initio calculations in a split-valence shell 6-31G(d) basis for the 2-chloro-1,4-dioxane (with axial and equatorial Cl atom) and 2,3-cis-dichloro-1,4-dioxane molecules with full optimization of their geometry were performed. 例句来源       Platinum has 10 electrons in its valence shell which makes one of its excited states to be a closed 5d10-6s0 state. 例句来源       Its valence shell electron configuration is the same as Calcium and so this isotope is easily fixed in the bones. 例句来源       Expanded valence shell of sulfur in certain thiolesters 例句来源       更多                    The crystal and molecular structures of the title compound have been determined from three-dimensional X-ray diffraction data. The cryatal is mono-clinic with a = 11.073 (2) , b = 13.766 (1) , c = 11.229 (11) A, β= 99.36 (5)°, Z = 4, space group P21/n. The observed and calculated densities are 1.60 and 1.631g/cm3 respectively. The structure was solved by heavy atom method and refined by full-matrix least squares to a conventional R facter of 0.085 for 2293 independent intensities greater than 3σ.Two benzoic...             3,6—二[二甲氨基]二苯并碘六圆氯化物的晶体呈淡黄色六棱柱状。该晶体所属的空间群是P2_1/n,晶胞参数为;a=11.073(2),b=13.766(1),c=11.229(11),β=99.36(5)°,Z=4。在CAD—4四圆衍射仪上用Mo-Kα射线收录了Ⅰ≥3σ(Ⅰ)的独立衍射数据2293个。晶体结构用重原子法解出,晶体结构参数经全矩阵最小二乘方法修正,偏离因子R=0.085。 结构测定结果表明,分子中二苯环不共面,其二面交角约为133°。值得指出的是,围绕对称心成心对称的一对分子呈二聚状态。二聚体中二碘原子、二氯原子及与碘原子毗邻的四个碳原子共处于一个平面。二聚体中I—C1间距有3.074和3.102两种,围绕碘原子的四个键角值为90°左右。在二聚体中碘原子以dsp~2。杂化轨道与周围的二氯原子、二碳原子键合。 文摘来源          The crystal structure of (C5H7S2)2 ((SbCl3)2S) has been determined by the heavy atom method and refined by full matrix least squares technique on CAD-4 diffractometer to R=0.067. The space group is C2/c with a=14.531(2), b=11.265(2), c=15.364(3)A. β=112.72(1) and 2=4. The result shows that the crystal is ionic,consisting of a planar five-membered ring (C5H7S2)+ cation and a((SbCl3)2S)2- anion. In the anion, each Sb atom makes use of foursp3d hybrid orbitals to combine with three Cl atoms and a bridging S at...             [C_5H_7S_2]_2[(SbC1_3)_2S]的晶体结构采用x射线衍射法测定。晶体属于卑斜晶系,空间群C2/c,a=14.531(2),b=11.265(2),c=15.364(3),B=112.72(1)°,Z=4。在CAD-4四圆衍射仪上收集数据,用重原子法解出结构并经全矩阵最小二乘法修正。R=0.067。研究表明,该离子晶体中,[C_5H_7S_2]~+的C、S骨架具有平面构型,而[(SbCl_3)_2S]~(2-)的构型是:Sb原子周围形成缺位的准三角双锥构型,两个Sb准三角双锥通过共用S桥形成二聚体,∠Sb-S-Sb=98°,整个阴离子具有C_2对称性。 文摘来源          A simultaneous optimization of geometry and orbital exponents in ab initiocalculations is studied.The simplex method is employed in the optimization,and the STO-3G basis set is chosen.Full geometry optimizations with and wi-thout optimizing the STO exponents are carried out on hydrogen,methane,am-monia,water,hydrogen fluoride as well as their deprotonated species,The res-ults without exponent optimization are in excellent agreement with the dataavailable in literature.The resulting deprotonation energies ar...             研究了从头算几何与轨道指数的同时优化.采用单纯形法优化,并选用STO-3G 基集合,对氢、甲烷、氨、水、氟化氢及其脱质子物作了不优化或同时优化STO 指数的全几何优化.不优化指数的结果与文献中已有的数据符合得很好.加上价层STO 指数的优化,结果使脱质子能得到改善. 文摘来源   << 更多相关文摘         相关查询: valence shell electronic valence-shell valence shell excitation valence electron shell valence shell electron valence shell electrons valence shell electronrepulsion valence shell electronic structural valence shell electronrepulsion theory valence shell electron pair valence shell electronic structure valence shell electron pairs  对查询结果不满意

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