- 作者: 朱慶源; 黃良平
- 作者服務機構: Department of Chemistry, National Taiwan University, Taipei, Taiwan, R.O.C.
- 中文摘要: Intermolecular nuclear relaxation studies of real liquids and the results of theoretical calculations for model potential functions have provided significant information on the role of molecular interactions in the structure of liquids. The intermolecular proton-proton paircorrelation function (pcf), obtained from the reference interaction site model (RISM) is used as the equilibrium distribution and is used to obtarn an effective force for the calculation of intermolecular proton relaxation rates in liquid benzene, 1,3,5-trideuterobenzene and ethane. For liquid ethane, better agreement is observed with the pcf obtained from the Monte Carlo simulation than with the RISM result.
- 英文摘要: --
- 中文關鍵字: NMR; liquid structure.
- 英文關鍵字: NMR; liquid structure.