| 水分子红外光谱的计算 |
| |
| 引用本文： | 宋善炎.水分子红外光谱的计算[J].湖南师范大学自然科学学报,1997,20(2):42-46. |
| |
| 作者姓名： | 宋善炎 |
| |
| 作者单位： | 湖南师范大学物理系 |
| |
| 摘 要： | 动用群论方法对水人发子的振动模式进行分类：用ＧＦ方法计算了水分红外光谱，并与实验值进行了比较，重点导出计算简正的振动模式的一般公式和求解步骤。作为例子，具体算出了水分子的简正模式的构型。
|
| 关 键 词： | 振动模式 红外光谱 水分子 分子结构 |
Calculation of Water Molecule Infrared Spectrum |
| |
| Song Shanyan.Calculation of Water Molecule Infrared Spectrum[J].Journal of Natural Science of Hunan Normal University,1997,20(2):42-46. |
| |
| Authors: | Song Shanyan |
| |
| Abstract: | The paper classifies the vibration mode of water molecule by means of group theory and calculates the water molecule infrared spectrum by means of GF method, which is compared with experimental value. The focus of the paper derives the general formula of calculation of normal vibration mode and the procession of solution. As an example, the configuration of water molecule normal mode is detaily calculcied. |
| |
| Keywords: | GF method vibration mode infrared spectrum |
| 本文献已被 CNKI 维普 等数据库收录！ |
