- 作者: 陳成; 陳紹舟; 呂學文
- 作者服務機構: Contribution from the Department of Chemistry, Chung-Cheng Institute of Technology, Ta-Shi, Taiwan, R.O.C.
- 中文摘要: A newly developed approximate self-consistent molecular orbital formulation, so called: “s-p separation model CNDO-MO method”, is proposed. The Pariser Parr1) and Nishimoto Mataga2) approximations are separately applied to the na and np (n=1 to 3) AO’s. The MO’s of both closed and open shell cases are formulated. It seems to be a good method for molecular structure interpretation for both polar and nonpolar compounds.
- 英文摘要: --
- 中文關鍵字: --
- 英文關鍵字: --