期刊文献+
共找到1篇文章
< 1 >
每页显示 20 50 100
Anharmonic oscillator model of overtone spectra for D_(3h) symmetry molecules
1
作者 WANG,Yi-Fei LIANG,Ying-Qiu TANG,Ao-Qing Institute of Theoretical Chemistry,Jilin University,Changchun,130023 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1991年第4期289-296,共0页
The bond stretching vibrations of XF_5 molecules with D_(3h)symmetry are treated computa- tionally on the Morse oscillator model in which the bond oscillators are coupled harmonically.Each calculation involves four pa... The bond stretching vibrations of XF_5 molecules with D_(3h)symmetry are treated computa- tionally on the Morse oscillator model in which the bond oscillators are coupled harmonically.Each calculation involves four parameters for two types of Morse potential and three parameters for the kinetic-energy,potontial coupling terms.The eigenvalue formula for overtone and combination states up to three are presented and can be used to predict all the vibrational energylevels from local mode molecules through normal mode molecules.For PF_5,AsF_5 and VF_5,the coupled Morse oscillator model gives a prediction in good agreement with the experimental data. 展开更多
关键词 MODE anharmonic oscillator model of overtone spectra for D symmetry molecules
全文增补中
上一页 1 下一页 到第
使用帮助 返回顶部