THEORETICAL CONSIDERATIONS OF SECONDARY ORGANIC AEROSOL FORMATION FROM H-ABSTRACTION REACTION OF P-XYLENE
作者单位：State Key Laboratory of Organic GeochemistryGuangzhou Institute of GeochemistryChinese Academy of Sciences
会议名称：《中国化学会第27届学术年会》
会议日期：2010年
学科分类：07[理学] 070602[理学-大气物理学与大气环境] 0706[理学-大气科学]
关 键 词：p-Xylene H-Abstraction Channel Theoretical Barrier
摘 要：正Xylenes are important constituents of many liquid fuels, as well as precursors of secondary organic aerosol （SOA）1-2. Theoretical calculations at the B3LYP/6-311++G**level using Gaussian 03 program