Structural perturbations in proton-randomized single point charge simulated ice
Molecular dynamics, along with Monte Carlo methods, continue to be powerful tools to probe molecular behavior: In this study, we used a simulation cell consisting of 896 water molecules in an ice-lh configuration to compare structural properties of protonrandomized simulated ice using the Single...
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| Format: | Article |
| Published: |
2001
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| Online Access: | http://journalarticle.ukm.my/1385/ http://www.ukm.my/jkukm/index.php/jkukm |
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