- 作者: Shalabi, Ahmed
- 作者服務機構: Dept. of Chemistry, United Arab Emirates Univ., Al-Ain, U.A.E.
- 中文摘要: Ab initio and MNDO calculations of VSEPR model were carried out on CH/sub 2/, CH/sub 2//sup +/, CH/sub 2//sup -/, SiH/sub 2/, SiH/sub 2//sup +/ and SiH/sub 2//sup -/. Comparisons between the second row carbon and its third row silicon analogue as unshared electron pair contributors are considered. The repulsion effects as well as the volume requirement of the unshared electron pair on several structural and energetic properties are investigated.
- 英文摘要: --
- 中文關鍵字: Ab Initio; Mndo; Vsepr; Molecular Orbital Calculation
- 英文關鍵字: 分子軌域計算