ICCAS OpenIR
A quantitative structure-property relationship study of the glass transition temperature of OLED materials
Yin, SW; Shuai, Z; Wang, YL
2003-05-01
Source PublicationJOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
ISSN0095-2338
Volume43Issue:3Pages:970-977
AbstractOrganic light-emitting-diodes (OLED) materials possess great potential applications. Stability and efficiency are the two major factors to be improved toward commercialization, especially the thermal stability, because in the working device, the organic molecular materials can have high temperature. One of the most important factors, which influences the stability, is the glass transition temperature (T-g). We employed a QSPR (quantitative structure-properties relationship) approach to establish a theoretical model to predict the glass transition temperatures of organic molecular materials. A six-parameter correlation with the squared correlation coefficient R-2 = 0.9270 and the average absolute error 8.5 K was developed for a diverse set of 73 OLED materials. All descriptors were derived solely from the chemical structures of the organic compounds. A satisfactory average absolute error of 17.9 K for a test set of 15 OLED materials makes the model very useful for the prediction of the unknown OLED materials.
DOI10.1021/ci034011y
Indexed BySCI
Language英语
WOS IDWOS:000183209300028
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:29[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/80066
Collection中国科学院化学研究所
Corresponding AuthorShuai, Z
Affiliation1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Lab Organ Solids, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Inst Chem, Lab Colloid & Interface Sci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Yin, SW,Shuai, Z,Wang, YL. A quantitative structure-property relationship study of the glass transition temperature of OLED materials[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,2003,43(3):970-977.
APA Yin, SW,Shuai, Z,&Wang, YL.(2003).A quantitative structure-property relationship study of the glass transition temperature of OLED materials.JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,43(3),970-977.
MLA Yin, SW,et al."A quantitative structure-property relationship study of the glass transition temperature of OLED materials".JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 43.3(2003):970-977.
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