MD simulation of the dynamics of chlorocyclohexane guest molecules in the thiourea inclusion compound
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference25 articles.
1. Röntgenographische Strukturuntersuchungen hexagonaler Einschlussverbindungen des Thioharnstoffs
2. Phase transitions and molecular dynamics in the cyclohexane/thiourea inclusion compound
3. Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone
4. Temperature-dependent structural properties of the chlorocyclohexane/thiourea inclusion compound investigated by synchrotron X-ray powder diffraction
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1. Modeling the THF clathrate hydrate dynamics by combining molecular dynamics and quasi-elastic neutron scattering;Chemical Physics;2017-10
2. In-plane pyridinium cation reorientation in bis-thiourea chloride, bromide and iodide: quasielastic neutron scattering combined with molecular dynamics simulations;Physical Chemistry Chemical Physics;2012
3. Molecular dynamics simulation of cation dynamics in bis-thiourea pyridinium nitrate inclusion compound;The Journal of Chemical Physics;2011-08-21
4. Complex Dynamics of Pyridinium Cation in Ferroelectric Bis(thiourea)pyridinium Iodide Studied by Quasi-Elastic Neutron Scattering;The Journal of Physical Chemistry C;2011-07-15
5. Dynamics of Methyl Iodide Clathrate Hydrate, Investigated by MD Simulations and QENS Experiments;The Journal of Physical Chemistry C;2011-06-15
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