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; Fabio, Ramondo; Caminiti, Ruggero. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 422:1-3(2006), pp. 256-261. [10.1016/j.cplett.2006.02.069]

Furan and thiophene in liquid phase: An X-ray and molecular dynamics study

GONTRANI, Lorenzo;CAMINITI, Ruggero
2006

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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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11573/363368
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