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Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration.
Cun-Xi Liu
Ze-Rong Li
Chong-Wen Zhou
Xiang-Yuan Li
Published in:
J. Comput. Chem. (2009)
Keyphrases
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least squares
prediction accuracy
error analysis
general loss functions
high accuracy
computational model
theoretical framework
camera calibration
highly accurate
desirable properties
prediction algorithm
image sequences
moving objects
experimental data
intrinsic parameters
protein function prediction