INTEGRAL-EQUATION ALGORITHM FOR FLUIDS OF FULLY ANISOTROPIC MOLECULES

被引：39

作者：

LADO, F

LOMBA, E

LOMBARDERO, M

机构：

[1] CSIC,INST QUIM FIS ROCASOLANO,E-28006 MADRID,SPAIN

[2] UNIV COMPLUTENSE MADRID,DEPT QUIM FIS 1,E-28040 MADRID,SPAIN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 01期

关键词：

D O I：

10.1063/1.469615

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We outline a practical algorithm for the solution of liquid-state integral equations for fluids of fully anisotropic rigid molecules requiring three Euler angles for their configurational description and leading to pair functions of five angular variables. The method is suitable for all potentials. We illustrate the technique with sample results for SO2. © 1995 American Institute of Physics.

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页码：481 / 484

页数：4

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