查询词典 polarizability

This means that the determination of oxide ion polarizability aO2 and optical basicity L by means of optical electronegativity Dwglass may also be used as an alternate approach.

这意味着测定氧离子极化和ao2 光学碱度升的方式光学电 DW的玻璃也可能被用来作为替代办法。

1The polarizability of a polymeric molecule with a polaron can be reversed by absorbing one photon.

具有极化子的聚合物分子可通过吸收一个光子而实现极化反转。

By using the polarizability effect index,a simple method for calculating standard enthalpies of vaporization of alkyl derivatives of main chain has been built up.

利用极化效应指数，建立了计算直链烷基衍生物同系物的标准汽化热的方法。

The introduction of polarizability into force fields in common use has been inhibited by the high computational expense associated with calculating the local electrostatic field.

力场中极化的引入和应用被局部静电场的高计算消耗所限制。

The result indicates that the transition disorder between different ordered band states will result in the decreasing of electronic spin polarizability and disappearing of half-metal character of materials.

不同的原子有序态间的转变无序将导致电子自旋极化率的降低或材料半金属性的消失。

Under the influence of an external electric field defined by Sparkles, wecomparatively study the molecular structures and NLO responses of the push-pull thiophene quinoid molecules, push-pull furan quinoid molecules and push-pull pyrrole quinoid molecules. The results make known that the relative size ofthe molecular polarizability values for the three quinoid-type molecules dependson the selection of the donor-acceptor pairs.

比较研究了推-拉噻吩醌型分子、推-拉呋喃醌型分子以及推-拉吡咯醌型分子在点电荷外加电场作用下的分子结构和NLO响应，结果表明：这三种分子超极化率的相对大小取决于给体-受体对的选择。

Tourmaline that has spontaneous polarizability, pyroelectricity and piezoelectricity can beused in many areas, for instance, electromagnetic shield, air purification, etc, therefore, differentspecies of tourmaline, Dravite occurring in pegmatites from Hebei that are different ingranularity and Schorl from Xinjiang that are different at heattreatment temperature and undercondition are tested accurately and studied in this thesis.

电气石具有自发电极性、热释电性和压电性，可应用于多个方面，如电磁屏蔽、空气净化等，为此，本文精确测试和研究了不同种属、不同粒径以及不同温度和条件下热处理电气石粉体的Zeta电位。

The optical nonlinearities, including the nonlinear absorption, the nonlinear refraction and the third-order nonlinear polarizability of 2-(2′-hydroxyphenyl)benzothiazole in cyclohexane, have been investigated using a single-beam Z-scan technique.

以532 nm皮秒脉冲作泵浦光，采用单光束Z-扫描技术对具有激发态分子内质子转移效应的有机分子2-(2′-羟基苯基)苯并噻唑在其双光子吸收区的非线性光学特性进行了详细地研究。

The results show that the rare earth element Ce can codeposit with cobalt-base alloy, and with increase of mass added of Ce in solution, the content of Co, Ni, Ce in alloy increases and the content of B decreases. Ce can increase plating rate of alloy in some range of content. The rare earth makes deposition potential mve in positive direction and polarizability decrease.

结果表明，在水溶液中稀土元素Ce可以与钴基合金实现共沉积，且随着镀液中Ce的浓度的增大，合金镀层中Ce、Co和Ni的含量逐渐升高，B含量降低；且Ce在一定范围内能够明显提高合金的沉积速度；稀土还使Co-Ni-B合金的析出电位发生了正移，减小了极化度。

Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.

采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算，以计算得到的量子化学参数作为理论描述符，采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析，建立了这些POPs的环境分配性质的QSPR模型：(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w，l的QSPR模型，这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959，估计的均方根误差分别为0.134、0.116和0.327；(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型，这两个模型都包含三个分子结构参数，其R~2都为0.997，RSMEE分别为0.073和0.062；(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型，两个模型都只含一个变量，其R~2分别为0.978和0.866，RSMEE分别为0.300和0.270；(4)采用Hartree-Fock和DFT方法，在4种不同水平上优化计算了24个取代萘系列化合物的分子结构，采用上述同样的方法分别建立了四种水平上的三变量lgK_模型，通过比较得到，在HF/6-311G**水平计算得到的模型最好，R为0.966，RSMEE为0.380；(5)同时，采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究，建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型，其R~2分别为0.991、0.983和0.965，RSMEE分别为0.110、0.100和0.300。

Singer Leona Lewis and former Led Zeppelin guitarist Jimmy Page emerged as the bus transformed into a grass-covered carnival float, and the pair combined for a rendition of "Whole Lotta Love".

歌手leona刘易斯和前率领的飞艇的吉他手吉米页出现巴士转化为基层所涵盖的嘉年华花车，和一双合并为一移交&整个lotta爱&。

This is Kate, and that's Erin.

这是凯特，那个是爱朗。