Ab initio study offree radical underthe Si （CH3） 2O doubleexternal electric field

• 作 者: CHENXiao-jun LUOSun-zhong JIAN
• 机 构: ChinaAcademyofEngineeringPhysics,InstituteofAtomicandMolecularPhysics
• 出 处: 原子与分子物理学报
• 发表日期: 2004年2期
• 关键词: TDDFT Si(CH3)2O EXCITED STATES DIPOLE MOMENT External electric field

Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si(CH3 )2O double free radical were also