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Journal of Structural Chemistry

2008 year, number 3

COMPUTER SIMULATION AND DIFFRACTION STUDIES OF THE STRUCTURE OF LIQUID BENZENE

P. M. Zorkii, L. V. Lanshina, T. V. Bogdan
Keywords: liquid benzene, structure, modeling, molecular dynamics, X-ray diffraction, neutron diffraction
Pages: 541-566

Abstract

The review offers critical analysis of the results of the diffraction studies and computer simulation of the structure of liquid benzene. It is shown that until recently, structural studies were mainly investigations of the nearest surroundings of molecules, but did not ultimately provide reliable data. Modern approaches to studies of liquids at higher levels are considered, and a structural model of liquid benzene is suggested.