MICROSCOPIC CONFIGURATIONS AND SHAPE OF THE ATOM ATOM PAIR DISTRIBUTION FUNCTION OF LIQUID CHLORINE

被引：8

作者：

DESANTIS, A ^{[1
]}

GREGORI, A ^{[1
]}

ROCCA, D ^{[1
]}

机构：

[1] UNIV ROME LA SAPIENZA,DIPARTMENTO FIS,I-00185 ROME,ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 181卷 / 06期

关键词：

D O I：

10.1016/0009-2614(91)80317-Q

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：

The atom-atom pair distribution function is studied in terms of microscopic ordered configurations following a method of analysis quite different from the usual methods of the literature. In the case of two models of liquid chlorine, it is shown that the T-shaped configurations are mainly responsible for the differences in the atom-atom distribution functions. The physical reasons of such differences are also discussed.

引用

页码：579 / 581

页数：3

共 7 条

[1]

DESANTIS A, 1990, MOL PHYS, V71, P307, DOI 10.1080/00268979000101811

[2] COMPUTER-SIMULATION OF LIQUID CHLORINE [J].

MURTHY, CS ;

SINGER, K ;

VALLAURI, R .

MOLECULAR PHYSICS, 1983, 49 (04) :803-815

[3]

RICCI FP, 1987, MOL PHYS, V60, P1254

[4] THE INTERMOLECULAR POTENTIAL OF CHLORINE - A 3 PHASE STUDY [J].

RODGER, PM ;

STONE, AJ ;

TILDESLEY, DJ .

MOLECULAR PHYSICS, 1988, 63 (02) :173-188

[5] ATOMIC ANISOTROPY AND THE STRUCTURE OF LIQUID CHLORINE [J].

RODGER, PM ;

STONE, AJ ;

TILDESLEY, DJ .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1987, 83 :1689-1702

[6] THERMODYNAMIC AND STRUCTURAL-PROPERTIES OF LIQUIDS MODELED BY 2-LENNARD-JONES CENTERS PAIR POTENTIALS [J].

SINGER, K ;

TAYLOR, A ;

SINGER, JVL .

MOLECULAR PHYSICS, 1977, 33 (06) :1757-1795

[7] COMPUTER SIMULATIONS OF POLYATOMIC-MOLECULES .2. MOLECULAR-DYNAMICS STUDIES OF DIATOMIC LIQUIDS WITH ATOM-ATOM AND QUADRUPOLE-QUADRUPOLE POTENTIALS [J].

STREETT, WB ;

TILDESLEY, DJ .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1977, 355 (1681) :239-266

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