Investigation of the Structure of Liquid Pyridine: a Molecular Dynamics Simulation, an RISM, and an X-ray Diffraction Study

Abstract

The structure of liquid pyridine is investigated by molecular dynamics simulation and the RISM integral equation methods. The calculated total radial distribution functions ( R D F ) are compared with the experimental RDF ' s , obtained by X-ray diffraction measurement. It is shown that the local structure of liquid pyridine is mainly determined by the… (More)

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@inproceedings{Bako2013InvestigationOT, title={Investigation of the Structure of Liquid Pyridine: a Molecular Dynamics Simulation, an RISM, and an X-ray Diffraction Study}, author={I. G. Bako and Tam{\'a}s Radnai and G{\'a}bor P{\'a}link{\'a}s}, year={2013} }