- 作者: 謝從卿; 潘可傳
- 作者服務機構: Department of Chemistry, Tamkang College of Arts and Sciences, Tamsui, Taiwan 251
- 中文摘要: Localized molecular orbitals have been shown to be transferable among structurally-related molecules. We further show that the electronic energies between localized orbitals are transferable and their magnitude can be estimated. A set of parameters of group interaction energies are established form the analysis of small molecules. Use of these parameters is demonstrated successfully for large molecules.
- 英文摘要: --
- 中文關鍵字: --
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