- 作者: Federico Eisner S. and Jorge Ricardo Letelier D.*
- 作者服務機構: Departamento de Quimica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile, Ave. Tupper 2069, Casilla 2777, Santiago, Chile
- 中文摘要: A simple pencil and paper method to calculate the forces acting on individual atoms in a molecule, due to the electrons in the different populated molecular orbitals, has been developed within the Extended Huckel formalism. The method is applied to study the torsional stability around a single bond of some simple molecules. The results show good agreement with the experimental evidence of stable conformers.
- 英文摘要: --
- 中文關鍵字: Orbital interactions; ?Orbital forces.
- 英文關鍵字: --