Molecular Dynamics Simulation Of Translational And Rotational Diffusion Of Liquid Isoquinoline
Molecular dynamics (MD) simulations of isoquinoline in liquid phase were performed at several temperatures in the range of 300 to 365 K in order to investigate the evolution of translational and rotational diffusions with temperature. The intermolecular interactions are modeled using Coulombic plus...
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| Main Author: | |
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| Format: | Thesis |
| Language: | English |
| Published: |
2010
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| Subjects: | |
| Online Access: | http://eprints.usm.my/42232/1/NORARIZA_AHMAD.pdf http://eprints.usm.my/42232/ |
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