$Comparison of the Structure of Liquid Amides as Determined by Diffraction Experiments and Molecular Dynamics Simulations$

Comparison of the Structure of Liquid Amides as Determined by Diffraction Experiments and Molecular Dynamics Simulations

The intermodular structures of liquid formamide, N-methylformamide and N,N-dimethylformamide at room temperature are studied by means of NVE molecular dynamics computer simulations. Newly developed flexible models are used. X-ray and neutron weighted structure and total radial pair distribution func...

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Veröffentlicht in:	Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 1995-01, Vol.50 (1), p.38-50
Hauptverfasser:	Schoester, Pia C., Zeidler, Manfred D., Radnai, Tamäs, Bopp, Philippe A.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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