A MOLECULAR-DYNAMICS SIMULATION OF CRYSTALLINE S-8

被引：20

作者：

VENUTI, E

CARDINI, G

CASTELLUCCI, E

机构：

[1] UNIV FLORENCE,DIPARTIMENTO CHIM,SPETTROSCOPIA MOLEC LAB,VIA GINO CAPPONI 9,I-50121 FLORENCE,ITALY

[2] UNIV BOLOGNA,FAC CHIM IND,DIPARTIMENTO CHIM FIS & INORGAN,I-40136 BOLOGNA,ITALY

[3] EUROPEAN LAB NONLINEAR SPECT,I-50125 FLORENCE,ITALY

来源：

CHEMICAL PHYSICS | 1992年 / 165卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(92)87047-D

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 results of a molecular dynamics simulation on crystalline sulfur are reported with particular attention paid to the spectroscopic properties as a function of the temperature at constant volume. An extension of the formalism of symmetrized autocorrelation function power spectra is proposed and applied to the assignment of the spectral features in the power spectra of the velocity autocorrelation function and of the Raman spectra estimate.

引用

页码：313 / 322

页数：10

共 31 条

[1] THE CRYSTAL AND MOLECULAR STRUCTURE OF ORTHORHOMBIC SULFUR [J].