The structure of Furan and thiophene neat liquids is discussed. Energy dispersive X-ray diffraction spectra were successfully inter- preted 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.
Gontrani Lorenzo, R.F. (2006). Furan and thiophene in liquid phase: An X-ray and molecular dynamics study. CHEMICAL PHYSICS LETTERS, 422(1-3), 256-261 [10.1016/j.cplett.2006.02.069].
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study
Gontrani Lorenzo
;
2006
Abstract
The structure of Furan and thiophene neat liquids is discussed. Energy dispersive X-ray diffraction spectra were successfully inter- preted 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.File in questo prodotto:
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