- 作者: 盧鈺枝 ; 鄭秀瑤
- 作者服務機構: 東海大學化學系
- 中文摘要: The resonance energies for attachment of an electron to the chloromethanes and the ionization potentials of the chloromethanes were studied both by the multiple scattering X.alpha.-SCF method and by the PM3 method. An external positively charged Watson sphere is used to stabilize the resonances in the X.alpha. method. The calculated results provide support for the assignment of the features observed in the electron transmission spectra of the chloromethanes.
- 英文摘要: --
- 中文關鍵字: Resonance; Stabilization Method; Slater Transition-State Procedure; Norman Procedure; Koopmans' Theory; Chloromethane; Ionization Energy
- 英文關鍵字: 共振;穩定法;氯甲烷;游離能