TY  - GEN
AU  - Liu,Cun-Xi
AU  - Li,Ze-Rong
AU  - Zhou,Chong-Wen
AU  - Li,Xiang-Yuan
TI  - Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration
SN  - 1096-987X
PY  - 2009///0624
KW  - Calibration
KW  - Computer Simulation
KW  - Least-Squares Analysis
KW  - Models, Chemical
KW  - Peroxides
KW  - chemistry
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/jcc.21122
ER  -