The calculated results show that it would be indeed a stationary point on its HF/ 6-31G potential hypersurface and predicted to be both chemically and kinetically stable. 结果表明,它是HF/6-31G势能超曲面上的真实稳定点。理论预测,它在化学上和动力学上都是稳定的。
All predicted structures of the stationary points on the potential energy profile are optimized at the B3LYP/ 6-311G ( d, p) level. 在B3LYP/6-311G水平上优化了反应势能面上各稳定点的几何结构。
This paper considers the uniqueness problem for the P-harmonic flow with potential into homogeneous space and proves that there are infinitely many global weak solutions if initial data is not stationary P-harmonic map with potential. 对齐次空间的具有位势的P-调和热流的唯一性问题进行了研究,并且证明了如果初始数据是非稳态的具有位势的P-调和映射,则存在无穷多个全局弱解。
A nonequilibrium potential is defined in terms of the stationary solution of master equations in thermodynamic limit. In statistical equilibrium, this potential is reduced to entropy while in linear nonequilibrium region to ex-cess entropy. 用热力学极限下master方程的定态解定义了非平衡系统的势函数,证明在平衡态时,这个势函数归为熵,在线性非平衡区它等效于超熵。
Principle of stationary incremental potential energy and formation rules of tangent stiffness matrix 势能增量驻值原理与切线刚度矩阵的解构规则波纹管抗扭刚度的计算
The Other is to get the value through the stationary value principle of general potential energy or other similitude method with correlation energy. 另一类是用总势能驻值原理或其他类似的有关能量的方法求解。
So, the factor of shear lag of box girder is researched by using the principle of the stationary value of the total potential energy, FEM and model test. 针对箱梁剪力滞效应研究不完善的现状,本文对箱梁剪力滞效应应用最小势能原理、有限元法和模型试验进行研究,并探讨了剪力滞效应的影响因素。
On the Boundary Value Problem of the Second Order Stationary Wave Diffraction Potential 关于二阶波浪绕射势稳态解边值问题
Using of the principle of the stationary value of the total potential energy yields stability governing equation of composite sandwich plates with edges elastically restrained against rotation, which include the effect of transverse shear. 本文考虑到了横向剪切的作用,通过应用最小势能原理和能量变分方法建立了复合材料夹芯板的稳定性控制方程。
Linear stationary response in atmospheric potential height to SST anomaly wintertime SSTA in the South China sea, Eurasian wave trains and the Northern Hemisphere Circulation 大气位势场对海表温度异常线性定常响应的数值试验冬季南海海表温度异常、欧亚波列和北半球大气环流
When an autocatalytic meta is in contact with the substrate metal in the bath, a sudden decrease of stationary potential is observed. 诱发反应的有效性可从基体金属的稳定电位-时间曲线看出。
In this paper, applying the principle of stationary potential, the author developed a plate-beam spline element, worked out the stiffness matrix and load matrix, and programmed this method. 本文采用最小势能原理,推导纵向用B3样条函数表示的折板与梁条结合单元的刚度矩阵、荷载向量,并在计算机上实现了其分析过程。
Finally, on the basis of stationary value theory of total potential energy, a general formula applied to all kind of conditions of loading and support is derived. 从总势能驻值原理出发,导出了一个适用于各种荷载与各种支承条件的薄壁截面梁的临界弯矩表达式。
Described in this paper is the calculation of hydrodynamic coefficients of ship rudder by a numerical method of finite elementary solution based on a linear stationary incompressible potential theory. 本文用有限基本解方法计算船舵的流体动力系数。
In this paper, we discuss two kinds of mixed difference form comparatively about transonic stationary potential flow with small perturbation: ( 1) M-C ( Murman-Cole conservation form), ( 2) E-O ( Engquist-Osher form); 本文就跨音速定常小扰动势流,对比讨论两种混合差分格式:(1)M-C(Murman-Cole守恒格式),(2)E-O(Engquist-Osher格式);
A three-dimensional beam element is derived based on the principle of stationary total potential energy for geometrically nonlinear analysis of space frames. 为了改善空间框架结构的几何非线性分析,根据总势能驻值原理推导了一个三维梁单元,用增量切线刚度矩阵代替传统的增量割线刚度矩阵。
This principle is the development of principle of stationary of potential energy in dynamics, and is also the extension of d'Alembert-Lagrange principle. It simplifies problems of dynamics, and has general application. 该原理是势能驻值定理在动力学中的发展,也是达朗贝尔-拉格朗日原理的延伸,使动力学问题得到简化。
The time-varying mass matrix, damp matrix and stiffness matrix of track spatial vibration were set up by using the principle of stationary total potential energy in elastic system dynamics, and the technology of track "added and cut down". 运用弹性系统总势能不变值原理,采用轨道不断“增加和缩减”技术,建立直线轨道结构空间振动时变质量、阻尼和刚度矩阵。
Based on an analysis of Kramers 'stationary solution, by means of the analytical solution of the Fokker-Planck equation in a harmonical potential, we propose a simple model for the calculation of the fission rates. 本文利用福克-普朗克方程在谐振子位场中得到的解析解形式,类比于克拉麦(Kramers)早期提出的定态理论,给出了计算裂变速率的解析解模型计算公式。
The structure parameters, vibration frequencies and energy of each stationary point on its potential energy surface are given. G2 ( MP2, SVP) method is applied in the calculations. 采用G2(MP2,SVP)理论计算出了势能面上各驻点物种的构型参数、振动频率和能量。
The stationary potential deep-etching method is most available than other method to prepare for metallograph analyses on SEM. 恒电位深腐蚀法是目前已知的制备扫描电镜用试样的最有效的方法。
The stationary point energies are corrected by QCISD ( T, full) and the potential barrier calculated 91.47 kJ/ mol is close to the experimental barrier 108.9 kJ/ mol. 进一步采用UQCISD(T,Full)方法对反应途径上的驻点进行了单点能量校正,得出该反应的计算位垒是91.47kJ/mol,与实验值108.92kJ/mol接近。
The quantum chemistry calculation showed that the photographic properties of a silver halide emulsion depended on the distribution of stationary potential in the whole crystal and the irradiation of the microwave influenced this distribution resulting in changes of the photographic properties of the emulsion. 通过量子化学计算可知:卤化银乳剂的照相性能和整个卤化银晶体中静电势的分布有关;微波照射可以改变卤化银晶体中的静电势分布,从而使卤化银感光材料的照相性能发生变化。
Stationary Probability Distribution of Parabolic-bistable Potential System Driven by Colored Noise 由色噪声驱动粒子的定态几率分布及二阶矩
Geometries of the stationary points on the potential energy surface have been optimized at B3LYP/ 6-311g ( d, p) level. 在B3LYP/6-311G(d,p)水平上对反应势能面上的各驻点进行几何构型的全优化;
Tin-based nano materials ( TCO) proved to be one of hot research topics because of its stationary response platform, low potential, considerable cycle performance and capacity characteristics. 锡基纳米材料是近年来研究的热点之一,由于其具有低电位、非常平的反应平台、相对较好的循环性能和大的容量特性。
Based on its great chiral separation ability, if tartaric acid and its derivatives could be bonded to silica gel by some way, those stationary phases will have a good application potential in chiral separation. 根据酒石酸及其衍生物良好的手性拆分效果,如果能把酒石酸衍生物通过某种方法键合到硅胶上制备手性固定相,该类固定相将有很好的应用潜力。
By using the method of energy, respectively, for two models of structural deformation potential energy, and according to the principle of stationary potential energy, using the variational method, structural buckling load for. 运用能量法,分别求解两种模型的结构变形势能,并根据势能驻值原理,采用变分法,进行结构失稳临界荷载的求解。
The motion equations of time-variant vehicle-bridge coupled system are established under the stationary value principle of the total dynamic potential energy in elastic system and "sit in the right seaf" principle. 3. 运用弹性系统动力学总势能不变值原理和对号入座法则建立汽车-桥梁耦合时变系统的运动方程。
According to the energy law, the total potential energy equation systems is established and then through the principle of stationary potential energy, caculate all kinds of linear buckling load. 3. 利用能量法建立起墙柱体系的总势能方程,并通过势能驻值原理,得到了各阶线性屈曲荷载。