| Rotational analysis and line intensities of the HCO B^2A＇-X^2A＇31^1 band at 296 K |
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| 作者姓名： | 刘艳红 杜晓峰 程新路 |
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| 作者单位： | Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant No. 10676025）. |
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| 摘 要： | This paper computes the rotational energy levels of the HCO B^2A＇-X^2A＇31^1 transition, especially, the higher values of the rotational quantum numbers NKa Kc and Ka, with the rotational constants which are obtained via B3LYP method with 6-311G basis set, and the results show that the calculated frequencies using the computed vibration-rotation energy levels are in reasonable agreement with the data from the experiment. Meanwhile, the line intensities of HCO are first reported, the results are of significance for the studying HCO.
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| 关 键 词： | 管理 转动分析 强度 B3LYP方法 频率计算 神经激肽A 转动量子数 碳酸氢根 |
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