ICCAS OpenIR
Theoretical Chemistry and Its Application to Sustainable Development
Shuai Zhigang1,2
2009-11-01
Source PublicationPROGRESS IN CHEMISTRY
ISSN1005-281X
Volume21Issue:11Pages:2259-2270
AbstractWe 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.
KeywordTheoretical Chemistry Chemical Reaction Quantum Dynamics Statistical Dynamics Interdisciplinary
Indexed BySCI
Language英语
WOS IDWOS:000272512300001
PublisherCHINESE ACAD SCIENCES
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67410
Collection中国科学院化学研究所
Corresponding AuthorShuai Zhigang
Affiliation1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China
2.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Recommended Citation
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.
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