简正坐标

利用群论方法构造出属于C2v群的各不等价不可约表示的投影算符，应用求得的投影算符合成丙酮分子的24个简正振动模式及简正坐标，并分析其振动模式的光谱特性。

In this paper constructed the projection operators of all the inequivalent and irreducible presentation which attributes to C_ ( 2v ) group , according to these projection operators composed the twenty-four normal modes of vibration and their normal coordinates , and analyzed the spectral properties of these vibration modes .

三羟甲基甲胺的红外和Raman光谱研究和简正坐标分析

Infrared and Raman Spectra and Normal Coordinate Analysis of the Trihydroxymethylaminomethane

Rh（acac）（CO）2的振动光谱及其简正坐标分析

Vibrational spectrum and normal coordinate analysis on rh ( acac )( co ) _2

本文采用U－B力场在位置群近似时对钻石中SiO离子的内振动进行了简正坐标分析，振动频率的计算值与观察值吻合很好。

Normal coordinate analysis has been carried out for the internal vibrations of SiO ions in zircon using the Urey-Bradley force field .

两种线型Mo-Fe-S原子簇元件化合物阴离子的简正坐标分析

Normal coordinate analysis on the dianions for two linear Mo-Fe-S Cluster fragment compounds

晶格振动行波解和简正坐标

An analysis of the plane-wave solutions and ortho-coordinates of lattice vibration

长链单不饱和脂肪醇乙酸酯的简正坐标分析

Normal coordinate analysis for long chain mono-unsaturated alcohol esters

锆石的振动谱及其简正坐标分析

Vibrational spectrum of zircon and its normal coordinate analysis

在简正坐标系下得到简单的算法公式。

Simple formula of the algorithm can be derived in normal coordinate system .

采用简化的普遍价力场（SGVFF）进行了简正坐标分析。

A simplified general valence force field was used in a normal coordinate analysis .

小分子简正坐标分析计算程序

Program of Normal Coordination Analysis for Small Molecules

一种新的数控磨削加工两坐标联动轨迹插补算法两种络合物的简正坐标处理

A New Two-axis Interpolation Algorithm for CNC Grinding Processes THE NORMAL COORDINATE TREATMENT OF TWO KINDS OF COMPLEXES

以一维单原子链为例，对晶格振动的行波解和简正坐标进行了分析和讨论，给出了一种新的格波解。

The plane wave solutions and ortho coordinates of lattice vibration are analyzed . A new solution is given .

导出了用简正坐标即声子模式所表达的非线性晶格动力学和非线性宏观极化。

The nonlinear lattice dynamics and an expression of nonlinear macroscopic polarization are derived in terms of optic phonon modes .

本文报导陆森红盐阴离子简正坐标分析及计算所得的一套力常数。

A normal coordinate analysis on the dianion of red Roussinate is reported together with a complete set of force constants calculated thereupon .

本文采用简正坐标分析法对陆森黑盐阴离子进行红外光谱的理论归属。

A theoretical assignment to the infrared spectra of the black Roussinate anion by using the method of normal coordinate analysis is described .

将不变本征算符方法推广到经典体系，并利用它来求体系的简正坐标。

The method of invariant eigen-operator is generalized to the classical system , and the normal coordinate of system is also obtained by using this method .

对单体和二聚体的甲基磺酸进行了简正坐标计算，结果表明二聚体结构是液态甲基磺酸聚积态分子的合理模型。

These calculations also indicate that the dimer structure is a reasonable model for the associated molecules of methane - sulfonic acid in the liquid phase .

在谱带经验归属及简正坐标分析计算的基础上，分别详细讨论了配体及骨架的振动光谱与结构的某些相关规律。

On the basis of the empirical assignment as well as the normal coordinate analysis of the fundamental vibrations , some correlative regularities between the spectra and the structure of the compounds are discussed in detail both for the ligands and for the skeleton .