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Original Articles

Molecular dynamics simulation of aqueous solutions using interaction energy components: Application to the dielectric properties of the acetone–water system

Pages 549-553 | Received 01 Apr 2005, Accepted 01 May 2005, Published online: 19 Aug 2006

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Xue-Dan Yang, Wei Chen, Ying Ren & Liang-Yin Chu. (2022) Exploring dielectric spectra of polymer through molecular dynamics simulations. Molecular Simulation 48:10, pages 935-943.
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S. Tolosa Arroyo, J. C. Corchado Martin-Romo, A. Hidalgo Garcia & J. A. Sansón Martín. (2007) Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves. The Journal of Physical Chemistry A 111:51, pages 13515-13520.
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S. Tolosa Arroyo, J. A. Sansón Martín & A. Hidalgo García. (2006) Molecular Dynamics Simulation of the Reaction of Hydration of Formaldehyde Using a Potential Based on Solute−Solvent Interaction Energy Components. The Journal of Physical Chemistry A 111:2, pages 339-344.
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S. Tolosa Arroyo, J.A. Sansón Martín & A. Hidalgo García. (2006) Molecular dynamics simulation of acetamide solvation using interaction energy components: Application to structural and energy properties. Chemical Physics 327:1, pages 187-192.
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