查询词典 substitution method

The results show that the torsion energy and van der Waals interaction energy are the main types of energy and the substitution group has a great effect on the total energy of molecular. The aliphatic substitution would lead to the increase of total energy, while the aromatic substitution would lead to the decrease of total energy. The calculated results of bond length show that the bond length of aliphatic C—C is longer than that of aromatic C—C, which indicates that the rupture of aliphatic C—C is easier than that of aromatic C—C on heating.

研究结果表明，扭转能和范德华能是分子中的主要作用力，取代基对体系能量有明显影响，烷基取代基使体系能量增加，而苯基取代基使体系能量降低；脂肪C—C键长比芳香C—C键长长，说明脂肪C—C在受热过程中比芳香C—C更容易断裂分解。

In this paper Ⅰ successfully applied these methods to fault diagnosis, and presenting some new innovative machinery fault diagnosis method; First Ⅰ present a new gear wornout fault diagnosis method, this method use the vibration signal's time-frequency attribute and instantaneous phase undulation to accurately detect gear's fault, and by comparing with the traditional frequency domain analysis method, this method reveals that many nonlinear and nonstationary characteristic exist in gear's vibration, this tell us that if we use frequency domain analysis method without pay attention to the signal's characteristic, we could get wrong diagnostic result; Then Ⅰ present a new bearing fault diagnosis method, this method use ATVFD and Hilbert transform to do envelop demodulation,Ⅰ analyze the envelop with time-frequency method and find out that this method is more accurate then traditional method.Ⅰ also explain that the modulation of the fault to the carrier wave may also be non-stationary and nonlinear; Finally Ⅰ present a cylinder pressure measurement method of diesel engine by means of vibration, cylinder pressure is an important parameter of diesel engine fault diagnosis, the pressure measuring is simplified a lot by this method,Ⅰ also use the ATVFD and time-frequency analysis to realize it.

本文中将上述理论方法成功地应用到故障诊断中去，提出了几点创新性的诊断方法；提出了一种齿轮磨损故障诊断的新方法，该方法利用振动信号能量的时频域分布特征与瞬时相位波动特征可以进行精确的齿轮故障诊断，并通过与传统的频域诊断方法的比较，揭示出齿轮振动中存在的明显的非线性与非平稳特征，说明了不加选择地利用频域分析方法进行齿轮故障诊断很可能会得到错误的诊断结果；提出了一种轴承故障诊断的新方法，该方法利用ATVFD分解与Hilbert变换进行包络解调，并对解调得到的包络信号进行时频域分析，可以实现更加准确轴承故障诊断，说明了故障对载波信号的调制往往也是非平稳与非线性的；提出了一种利用振动信号进行柴油机汽缸内压力检测的新方法，柴油机汽缸压力的变化是柴油机故障诊断的重要参数，利用振动方法可大大简化汽缸压力的检测过程，该方法也是综合利用ATVFD分解与时频域分析方法实现的。

The intramolecular hydrogen bonding energies for some special systems were evaluated by means of the substitution method, cis-trans method, and supermolecular approach. The intramolecular hydrogen bonding energies predicted by the substitution method agree well with the values obtained by the cis-trans method and the supermolecular approach.

对一些特殊体系，使用取代法，cis-trans方法和超分子方法计算了氢键键能，取代法计算得到的氢键键能与cis-trans方法、超分子方法的计算结果相符。

This train classifies "information carrier adhering to the build" as design elements, and probes into integrated design method of it and single building separately: method of definite position, method of definite form and method of combination; Then, this train probes into integrated design method of it and colonys building , that bases on the cognitive design method: method of rhythm controls,method of node outstanding, and that aims at the design method to protect: method of protect original, method of repairing and method of renewal.

本文的第四部分提出了一体化设计的思路，将建筑附着信息载体作为设计元素，探讨了它与建筑单体一体化设计的方法：定位法、定形法、混合法；以及它与建筑群体一体化设计时，基于认知的设计方法：节奏控制法、节点突出法，旨在保护的设计方法：存真法、修缮法、更新法。

In inorganic chemistry experiment teaching material,"the Measurement of the Molar Gas Constant by Displacement method" uses the magnesium method of substitution or the aluminum method of substitution.

摩尔气体常数的测定方法很多，在无机化学实验中，常采用置换法来测定。其方法为：取一定质量的活泼金属，与一定体积的已知浓度的酸反应，在一定的温度和压强下，测得置换出氢气的体积。

People calls this kind of method " of " equivalent substitution method, try " of " equivalent substitution method to solve the problem below please.

人们把这种方法叫"等效替代法"，请尝试"等效替代法"解决下面的新问题。

This article has sorted out the data of indefinite integral concept in common use, and has analyzed the features of three methods of indefinite integral in common use: the first substitution method of integration, the second substitution method of integration, and integration by parts.

因为，(x2)′=2x，(x2+1)′=2x，(x2+2)′=2x，(x2+c)′=2x所以x2，x2+1，x2+2，x2+c均为2x的原函数。由此得出：一个函数若有原函数存在则有无数个原函数存在，且任意两个原函数之间相差一个常数。

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。

Firstly, this paper investigated roundly the basic theory of the ambient vibration method, analyzed systematically the main methods of ambient vibration identification, and discussed their advantages and disadvantages. Then we established the finite element model of structural dynamics and test model and analyzed their mutual relation, improved MUSIC method and correlation function method in the harmonic identification, and gave the subspace method and correlation function method based on continuous model, which is multi-harmonic retrieve technique. And then, this paper also puts forward least-squares method to estimate directly structural physical and modal parameters; this approach replaced the derivative operator in the continuous time model with an equivalent approximation, and estimated the physical parameters of structures by the least-squares method. And then, we discussed the approximation methods of derivative and their convergence. Finally, this paper researched the modal parameters of a frame structure by the simulation and test. The results demonstrated that subspace method, correlation function method and the least-squares method are effective and stable respectively.

全面地研究环境振动识别方法的基本理论，系统地分析环境振动识别方法的主要方法，讨论它们的优点和不足；建立结(来源：6666AB44C论文网www.abclunwen.com)构动力学的有限元模型和试验模型，分析有限元模型与试验模型之间的相互关系；改进谐波识别中的MUSIC识别方法和相关函数识别方法，给出大型结构模态识别的连续型的子空间分解识别方法和相关函数识别方法，这个方法是多元谐波识别方法；提出直接识别结构的物理参数和模态参数的最小二乘方法，这个方法利用导数的近似值代替导数值，并运用最小二乘方法识别结构的物理参数，讨论导数近似值的选择方法，分析算法的收敛性；通过仿真计算和模型实验，研究高层框架结构的模态参数识别，验证子空间分解识别方法、相关函数识别方法和最小二乘识别方法的有效性，算法的稳定性；从理论和试验两个方面分析和研究噪声对识别精度的影响，影响识别精度的因素，以及部分模态成分的模态参数不能够被识别的原因。

The revised Hargraves formula has the best result compared with Penman-Monteith formula, the average relative error is 6%, moreover, Hargaves method requiring the least data in calculating ETo, so this method has the high actual application value; The following are Radiation method and Blaney-Criddle method ; The worst is the Pan method, even after revised, the highest and average relative error is 36% and 10%, respectively. So, in this study, Penman-Monteith method, Radiation method, Blaney-Criddle method and Hargraves method are used except Pan method.

在这四种方法中，修正后的Hargraves方法与彭曼—蒙特斯方法的计算结果符合最好，其平均相对误差为6％，而Hargraves方法需要的气象数据只有计算时段的最高、最低温度，该方法具有较高的实际应用价值；辐射方法和布兰尼—克里德尔方法次之；蒸发皿方法最差，即使在修正后，E601型蒸发皿的最大误差也高达36％，平均为10％，所以在预报系统的研究设计中采用了除蒸发皿方法之外的四种方法。

Chinese traditional virtue is humility and wariness,the compliment and praise to the others should be declination

中国人的传统美德是谦虚谨慎，对别人的恭维和夸奖应是推辞。如

We bought this house on the never-never.

我们以分期付款的方式买下这座房子。