anharmoniceffect相关论文
Kinetic analysis and anharmonic correction for the conversion process of nitrogen radical in chemica
Due to the complexity of the reaction mechanism of formative NOX,the concentration of NOX in the flue gas cant be calcul......
The chemical kinetic mechanism of combustion of fuels is composed of a series of elementary reactions.Being the key ......
In recent years,the petroleum-based fuels has raised frequently in various social issues,including energy security,a......
基于过渡态理论(TST)和RRKM(Rice.Ramsperger.Kassel—Marcus)理论,使用MP2/6.311++G(3dr,2p)IIB3LYP/6—311++G(3df,2p)基组和方法,本文分别计算了甲......