Polarizability calculation of vibrating nanoparticles for intensity of low wavenumber Raman scattering

Ab initio calculation of the conformatio

Ab initio calculation of the conformational stability, vibrational wavenumbers, Raman and infrared intensities and structural parameters of chloromethyldichlorophosphine

✍ J. R. Durig; Jinpeng Xiao; J. B. Robb II; F. F. D. Daeyaert 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 318 KB 👁 2 views

The structural parameters and conformational stabilities of the trans (the CÈCl bond is trans to the phosphorus lone pair) and gauche rotamers of chloromethyldichlorophosphine, were obtained from ab initio cal-ClCH 2 PCl 2 , culations up to the MP2/6-311 + G\*\* level. In each case the gauche form w