内坐标

本文报道了一种由量子化学方法获得的笛卡尔力场Fx矩阵转换成内坐标力场Fr矩阵的方法。

This paper reports a transformational method and programme of force constants from Cartesian to internal coordinates .

证明了分子柔度F（ij）是相应内坐标Ri和Rj的固有常数，它表示分子在沿Rj方向的单位外力作用下达平衡时沿Ri方向的位移；

It is proved that the molecular flexibility f_ ( ij ), which represents the displacement along R_i when the molecule balances under the unit external force along R_j , is the natural constant of the corresponding internal coordinates R_i and R_j .

分子红外振动光谱中计算内坐标威尔逊方法的改进

The improvement of Wilson method of calculating inter-symmetry coordinates in the molecular spectroscopy of infrared vibration

计算中应用多项式函数拟合从头算结果得到的内坐标系下的基态解析势能面，经坐标变换得到质量加权坐标系下的相应势能面。

The analytical potential energy surface used in the calculation was obtained by fitting the polynomial function to the ab initio results in internal coordinates . This surface was then transformed into one in mass weighted coordinates by coordinates transformation .

公路曲线范围内任意坐标反算中桩里程及偏距的直接算法探析

Research on Reverse-Calculation of Center Stake Mileage and Setover via Any Coordinate in Range of Highway Curve

研究了基于数字近景摄影原理的三维坐标精密视觉测量方法，可用于工业现场大尺寸范围内的坐标测量。

An on-field large scale 3D precise visual measurement technique based on digital close range photogrammetry is described .

即根据前点位置坐标确定下点位置坐标，然后计算插补周期内两坐标的进给量。

Coordinate of next point was confirmed according to coordinate of front point , and then amount of feed of coordinates was calculated in interpolation cycle .

根据螺旋锥齿轮铣床的实体结构建立了测量坐标系，采用齐次坐标变换矩阵将测头中心坐标转化为工件坐标系内的坐标。

According to the entity structure of the spiral bevel gear milling machine , the measured coordinate system is founded . The measuring head center coordinates are turned into the coordinates of work coordinate system by the homogeneous coordinate transformation matrix .

这里还进一步以厦门地区为例，给出了局部区域内的GPS坐标和电子地图间的转换算法。

Also the transformation algorithm between GPS coordinate and electronic map coordinate is given in local district , for example Xiamen .

内禀反应坐标（IRC）证实反应物、过渡态、产物的相关性。

The relationship of reactants , transition states , intermediates and products in affirmed by IRC .

目的分析自行编制的不可见靶点计算软件STZ确定脑内靶点坐标与实际手术靶点坐标的一致性。

Objective To analyze the results of the actual target coordinates and the calculation coordinates with the calculation software STZ .

对各过渡态，利用内禀反应坐标IRC来进行验证。

For the transition states , the calculation of internal reaction coordinate ( IRC ) has been used to validate them .

通过振动分析的虚频数和内禀反应坐标（IRC）计算，确认了反应涉及的每一个过渡态。

Every transition state is confirmed by the numbers of virtual frequency and the intrinsic reaction coordinate ( IRC ) paths .

AutodeskCivil3D读取量测得到的点文件，经过特定逻辑的运算，如滤波、内插和坐标变换等项处理后。

Autodesk Civil 3D read the point file , after specific logic computing , such as filtering , interpolation and coordinate transformation .

用内禀反应坐标（IRC）的方法验证了反应路径，并在B3LYP/6-311+（2df，p）水平上进行了单点能计算。

Single point energy was calculated at B3LYP / 6-311 + ( 2df , p ) level . The reaction paths were verified by the intrinsic reaction coordinate ( IRC ) method .

本文用内禀反应坐标（IRC）法对甲胺的1,1-和1,2-脱氢反应途径进行了微观动力学解析。

The ab initio calculations have been performed on the reaction paths of 1 , 1-and 1 , 2-dehydrogenation of methylamine by the Intrinsic Reaction Coordinate ( IRC ) method .

在相同理论水平上用内禀反应坐标理论（IRC）对最小能量途径进行计算，并进行了详细的讨论。

The minimum-energy path was calculated by the intrinsic reaction coordinate theory ( IRC ) at the above theory level , then the reaction path along the IRC was discussed .

对所有过渡态的虚频振动模式进行了分析，并进一步作IRC（内禀反应坐标）路径分析，来最终确认我们所找的过渡态是准确的。

Analysis the imaginary vibration mode of all transition states in order to test the transition states . IRC ( intrinsic reaction coordinate ) was made for confirming the existence of the transition states , further .

三个反应通道上的稳定点和过渡态都经内禀反应坐标（IRC）跟踪得以确认，并用电子密度拓扑分析方法考察了反应过程中化学键的变化。

Stationary points on each one of the three reaction channels were confirmed by the IRC tracing . Topological analysis of electron density was employed for investigating the changes of chemical bonds in the reaction process .

然后依据反应途径的内禀反应坐标（IRC）理论，计算并分析了IRC途径上各驻点分子结构的变化和能量的变化，对沿反应最小能量途径的一系列驻点进行了零点能校正；

Then , the changes of the geometrical structures and the energies of the stationary points were analyzed by using the intrinsic reaction coordinate ( IRC ) method . Zero-point energy correction has been done along the minimum energy path ( MEP ) for each reaction .

求算道路加宽内边线点坐标的试算逼近法

Trial Approximation Method on Inner Side Line Coordinate Calculation of Broadened Road

内禀反应坐标法及其在单分子反应中的应用

The IRC method and its application to unimolecular reactions

用MINDO/3方法研究OCRCR'CO的热重排反应，给出了反应的活化能和内禀反应坐标途径。

The MINDO / 3 method has been used to study the thermal rearrangements of OCRCR'CO.

通过遗传算法对光栅周期内的突变坐标进行了优化设计，并对设计结果进行了数值模拟。

The mutative coordinates are optimized in genetic algorithm of raster cycle , the results are numerical simulated .

讨论了地球坐标系内，大地坐标与直角坐标之间进行相互变换的算法和精度，及其对实现高效的组合导航算法的意义。

The transformation algorithm and its accuracy between geodetic coordinates and rectangular coordinates play an important role in efficiency navigation algorithm .

通过优化计算找到了反应的过渡态，且振动分析确认了过渡态的结构，并用内禀反应坐标方法确定了能量最低反应路径。

Vibration analysis is carried out to confirm its identity as a transition structure . The intrinsic reaction coordinate is performed to search the minimum energy path .

数字矿山是在矿山领域内以三维坐标信息，及其相互关系为基础组成的一个信息框架，并在该框架内嵌入我们所获得的信息的总称。

Digital mine is an information framework based on the 3D coordinate information and their correlations in mine field , and take our obtained information embedded in the framework .

通过分析坐标解算模型，得出线性的校准方程，利用测量区域内两个坐标已知点（靶标），多个视觉传感器可一次完成校准。

By analyzing the coordinate calculation model , a linear calibration equation was presented , in which multiple vision sensors can derive their parameters at one time when getting two known coordinate points ( target ) .

权重的生成首先由Hopfield网络在基本图案矩阵的界限内选择一对坐标。

A weight 's genesis begins with the Hopfield net choosing a pair of coordinates within the bounds of a basic pattern matrix .

采用VB和VC开发了软件系统，以工控机为载体，实现了对纸板内金属异物的坐标定位、自动警报、自动记录，并可以通过标记装置在纸板上有金属部位做标记。

The equipment adopts VB and VC + + to develop software system and uses industrial computer , which has the functions of online detection , exact coordinate orientation , automatic alarming , automatic noting , making signs on the metal part by the signing equipment .