Molecular dynamics simulation ofn‐nonadecane in urea inclusion compound. I. Comparison with quasielastic neutron scattering experiment
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.472030
Reference37 articles.
1. Investigating the Structure and Dynamics of a Family of Organic Solids: The Alkane/Urea Inclusion Compounds
2. The crystal structure of the urea–hydrocarbon complexes
3. Theoretical prediction of the guest periodicity of alkane/urea inclusion compounds
4. Inelastic incoherent neutron scattering study of molecular motions of n‐nonadecane in urea chlatrate
5. Rotational and translational motions of n-nonadecane in the urea inclusion compound as evidenced by incoherent quasielastic neutron scattering
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1. Diffusional and conformational behaviour of hexadecane-1,16-diol and hexadecane enclathration in three-dimensional nanoporous urea inclusion compound model systems via molecular dynamics simulation;Computational Materials Science;2020-06
2. A phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds;Royal Society Open Science;2018-06
3. The true structural periodicities and superspace group descriptions of the prototypical incommensurate composite materials: Alkane/urea inclusion compounds;EPL (Europhysics Letters);2016-12-01
4. Diffusional behavior and guest conformational analysis of hexadecane-1,16-diol and hexadecane in urea crystal model via molecular dynamics simulation approach;Journal of Molecular Modeling;2016-11-19
5. Behavioral pattern exploration of single guest, hexadecane-1,16-diol and hexadecane in urea inclusion compounds via molecular dynamics simulation;Journal of Theoretical and Computational Chemistry;2016-09
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