Prediction on Subcooled Liquid Vapor Pressures of PCDD/Fs

Abstract:

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A QSPR model is established for estimating subcooled liquid vapor pressures (log PL) of PCDD/Fs. Three-dimensional holographic vector of atomic interaction field (3D-HoVAIF) is used to describe the chemical structures. The predictivity and stability of the model is also tested by leave-one-out cross-validation. Moreover, the estimated values have been presented for those PCDD/Fs which are lack of experimentally data by the optimum model.

Info:

Periodical:

Advanced Materials Research (Volumes 356-360)

Edited by:

Hexing Li, Qunjie Xu and Daquan Zhang

Pages:

217-222

DOI:

10.4028/www.scientific.net/AMR.356-360.217

Citation:

S. Qiao et al., "Prediction on Subcooled Liquid Vapor Pressures of PCDD/Fs", Advanced Materials Research, Vols. 356-360, pp. 217-222, 2012

Online since:

October 2011

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Price:

$35.00

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