Tddft studies on the electronic structures and nonlinear optical properties of two pt complexes
文献类型：期刊论文
| 作者 | Hong, T; Wu, KC; Mang, CY; Lin, CS; Zhang, MX; Wei, YQ; Liu, CP; Zhou, ZF; Zhuang, BT |
| 刊名 | Chinese journal of structural chemistry
 |
| 出版日期 | 2004 |
| 卷号 | 23期号:7页码:788-792 |
| ISSN号 | 0254-5861 |
| 关键词 | Electronic structure Nonlinear optical property Tddft |
| 通讯作者 | Hong, t() |
| 英文摘要 | The electronic absorption spectra and the second-order nonlinear optical properties of two trans(pet3)(2)pt(x)(p-ph-no2) (x = i, br) molecular clusters have been studied by using tddft method based on the optimized geometry structures. the calculated results show that the resonant effort is very strong at the wavelength of 1064 nm, and the shg effects of the corresponding molecules at 1907 nm are about 40 times larger than that of urea molecule. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; 2ND-HARMONIC GENERATION ; HYPERPOLARIZABILITIES ; APPROXIMATION ; MOLECULES ; ENERGY |
| WOS研究方向 | Chemistry ; Crystallography |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Crystallography |
| 语种 | 英语 |
| 出版者 | CHINESE JOURNAL STRUCTURAL CHEMISTRY |
| WOS记录号 | WOS:000223488600015 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2376903 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Hong, T |
| 作者单位 | 1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fujian 350002, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hong, T,Wu, KC,Mang, CY,et al. Tddft studies on the electronic structures and nonlinear optical properties of two pt complexes[J]. Chinese journal of structural chemistry,2004,23(7):788-792. |
| APA | Hong, T.,Wu, KC.,Mang, CY.,Lin, CS.,Zhang, MX.,...&Zhuang, BT.(2004).Tddft studies on the electronic structures and nonlinear optical properties of two pt complexes.Chinese journal of structural chemistry,23(7),788-792. |
| MLA | Hong, T,et al."Tddft studies on the electronic structures and nonlinear optical properties of two pt complexes".Chinese journal of structural chemistry 23.7(2004):788-792. |
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来源：中国科学院大学
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