| 小分子简正坐标分析计算程序 |
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| 引用本文： | 杨融生. 小分子简正坐标分析计算程序[J]. 福州大学学报(自然科学版), 1993, 0(1): 70-74 |
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| 作者姓名： | 杨融生 |
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| 作者单位： | 福州大学化学系 |
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| 摘 要： | 本文提供一个用ＢＡＳＩＣ语言编写的简正坐标分析计算程序．它采用修正的简单价力场， 运用阻尼微扰法精修力常数，适合于小分子做振动光谱分析．
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| 关 键 词： | 简正坐标 分子 程序 |
Program of Normal Coordination Analysis for Small Molecules |
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| Yang Rongsheng. Program of Normal Coordination Analysis for Small Molecules[J]. Journal of Fuzhou University(Natural Science Edition), 1993, 0(1): 70-74 |
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| Authors: | Yang Rongsheng |
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| Affiliation: | Department of Chemistry |
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| Abstract: | A program of the normal coordination analysis in BASIC language has been pro- posed for the analysis or vibration spectra or the small molecules. It adopts the modifled Simple-Valence-Field and utilizes the damping perturbation method for the accurate revision of the force constants in the calculation. |
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| Keywords: | normal coordination molecular program |
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