Theoretical Chemistry and Its Application to Sustainable Development
文献类型：期刊论文
| 作者 | Shuai Zhigang1,2 |
| 刊名 | PROGRESS IN CHEMISTRY
 |
| 出版日期 | 2009-11-01 |
| 卷号 | 21期号:11页码:2259-2270 |
| 关键词 | Theoretical Chemistry Chemical Reaction Quantum Dynamics Statistical Dynamics Interdisciplinary |
| ISSN号 | 1005-281X |
| 英文摘要 | We first give a brief summary on the progress of theoretical chemistry in China, including advances in relativistic quantum chemistry, multi-references electronic structure theory, gas-phase molecular reaction quantum dynamics, excited state structure and its dynamic processes, computational photo-chemistry, linear scaling electronic structure theory, ab initio valence bond theory, new and more accurate density functionals for various interactions, surface catalytic reaction theory, and in theoretical studies for functional materials, etc. We then present an example of application of theoretical chemistry to the prediction of power conversion efficiency of the solar cells, an issue closely related to the sustainable developments. |
| 语种 | 英语 |
| WOS记录号 | WOS:000272512300001 |
| 出版者 | CHINESE ACAD SCIENCES |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67409]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shuai Zhigang |
| 作者单位 | 1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shuai Zhigang. Theoretical Chemistry and Its Application to Sustainable Development[J]. PROGRESS IN CHEMISTRY,2009,21(11):2259-2270. |
| APA | Shuai Zhigang.(2009).Theoretical Chemistry and Its Application to Sustainable Development.PROGRESS IN CHEMISTRY,21(11),2259-2270. |
| MLA | Shuai Zhigang."Theoretical Chemistry and Its Application to Sustainable Development".PROGRESS IN CHEMISTRY 21.11(2009):2259-2270. |
入库方式： OAI收割
来源：化学研究所
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