Acta Phys. -Chim. Sin. ›› 1992, Vol. 8 ›› Issue (01): 33-38.doi: 10.3866/PKU.WHXB19920108
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Liang Wei-Gen; Yan Ji-Min; Hu Ri-Heng
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Abstract: An ab initio PD/LSF and (exp-6-1) model has been used to deal with intramolecular non-bonded interaction of 1,1-difluoro-ethane and 1.2-difluoroethane. It is concluded that the energy difference of isomers comes from intramolecular non-bonded inter-acion between the atoms. This model provides a useful, simple and easily understood approximation to intramolecular non-bon-ded interaction.
Key words: Intramolecular non-bonded interaction, Ab initio calculation, PD/LSF charge, (exp-6-1) model, Difluoroethane
Liang Wei-Gen; Yan Ji-Min; Hu Ri-Heng. On Intramolecular NON-Bonded Interaction of 1,1-Difluoroethane and 1,2-Difluoroethane[J].Acta Phys. -Chim. Sin., 1992, 8(01): 33-38.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19920108
http://www.whxb.pku.edu.cn/EN/Y1992/V8/I01/33
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