The structure of Furan and thiophene neat liquids is discussed. Energy dispersive X-ray diffraction spectra were successfully interpreted with molecular dynamics models. A detailed description of liquids at molecular level is obtainable, provided that a suitable and complete all-atom force field is employed. (c) 2006 Elsevier B.V. All rights reserved.
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study
GONTRANI, LORENZO;CAMINITI, RUGGERO
2006-01-01
Abstract
The structure of Furan and thiophene neat liquids is discussed. Energy dispersive X-ray diffraction spectra were successfully interpreted with molecular dynamics models. A detailed description of liquids at molecular level is obtainable, provided that a suitable and complete all-atom force field is employed. (c) 2006 Elsevier B.V. All rights reserved.
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