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Temperature and pressure dependence of the optimized soft-sticky dipole-quadrupole-octupole water model
The soft-sticky dipole-quadrupole-octupole (SSDQO) potential energy function for a coarse-grained single-site water model has Lennard-Jones interactions and an approximate multipole expansion for the electrostatics. Here, the Lennard-Jones parameters and multipole moments of SSDQO were optimized so...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2010
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2855697/ https://ncbi.nlm.nih.gov/pubmed/20331309 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3359432 |
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