首页 | 本学科首页   官方微博 | 高级检索  
     


Use of the virial theorem to calculate the molecular force constants of diatomic hydrides
Authors:V. V. Rossikhin  V. P. Morozov  L. I. Bezzub
Affiliation:(1) Dnepropetrovsk Chemical Engineering Institute, Russia
Abstract:The possibility of using the virial theorem to calculate the coefficients of the potential function for diatomic hydrides on the basis of the Fock-Roothaan wave function in the closed electron shell approximation has been demonstrated in relation to the LiH, BH, CH, NH, and OH molecules.
Keywords:
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号