Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors  

作　　者：Chunlei Zhang Liu Feng Jie Wei 

机构地区：[1]Beijing Univ Chem Technol, Coll Chem Engn, Dept Environm Engn, Beijing 100029, Peoples R China

出　　处：《Chinese Science Bulletin》2002年第15期1270-1272,共3页

摘　　要：Based on theoretical linear solvation energy relationship and quantum chemical descriptors computed by AM1 Hamiltonian, a new model is developed to predict the partitioning of some volatile organic compounds between the plant cuticular matrix and air.Based on theoretical linear solvation energy relationship and quantum chemical descriptors computed by AM1 Hamiltonian, a new model is developed to predict the partitioning of some volatile organic compounds between the plant cuticular matrix and air.

关 键 词：VOLATILE organic compound quantum chemical DESCRIPTOR PARTITION coefficient QSPR. 

分 类 号：O621[理学—有机化学]