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| 外电场对胸腺嘧啶分子性质的影响 | |
| 引用本文： | 陈琳,吴宇,隆正文,梁琍,冉茂武.外电场对胸腺嘧啶分子性质的影响[J].信阳师范学院学报(自然科学版),2015(1):42-46. |
| 作者姓名： | 陈琳 吴宇 隆正文 梁琍 冉茂武 |
| 作者单位： | 1. 铜仁学院 物理与应用工程系,贵州铜仁,554300 2. 贵州师范学院物理与电子科学学院,贵州贵阳,550025 3. 贵州大学物理系,贵州贵阳,550025 4. 铜仁学院 生物与化学工程系,贵州铜仁,554300 |
| 基金项目： | 贵州省教育厅自然科学青年项目 |
| 摘 要： | 利用密度泛函B3LYP方法,采用6-311+G基组对胸腺嘧啶分子的基态结构进行优化,计算了x,y,z三个方向上不同强度外电场条件下胸腺嘧啶的结构、能量和电荷分布.结果表明,外电场对胸腺嘧啶的结构、电荷分布、能量和分子前线轨道能级等特性均有影响,电场对分子特性的影响不仅与强度有关,而且与方向也有关,表现出胸腺分子对于电场的响应具有各向异性. |
| 关 键 词： | 胸腺嘧啶 外电场 分子结构 能级 |
Influence of the Electric Field on Thymine Molecular Properties |
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| Chen Lin,Wu Yu,Long Zhengwen,Liang Li,Ran Maowu.Influence of the Electric Field on Thymine Molecular Properties[J].Journal of Xinyang Teachers College(Natural Science Edition),2015(1):42-46. | |
| Authors: | Chen Lin Wu Yu Long Zhengwen Liang Li Ran Maowu |
| Institution: | Chen Lin;Wu Yu;Long Zhengwen;Liang Li;Ran Maowu;Department of Physics and Application Engineering,Tongren University;School of Physics and Electronic Science,Guizhou Normal College;Department of Physics,Guizhou University;Department of Biology and Chemistry Engineering,Tongren University; |
| Abstract: | The ground state structure of thymine molecule was optimized using density functional method B3 LYP basing on the 6- 311 + G basis set level. The structure,energy,and charge distribution of thymine molecule were calculated under different electric field intensities along x,y,z three directions. The results indicated that the characteristics of structure,charge distribution,energy and frontier orbital energy level difference of the thymine molecular were affected by external electric field. Furthermore,electric field strength of the influence of the molecular properties were not only determined by the electric field intensity,but also related to the direction of the electric field,which show that the response of thymine molecule to electric field was anisotropic. |
| Keywords: | thymine electric field molecular structure energy level |
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