Energetics of water proton configurations in gas hydrates: comparison of various water models
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DOI: 10.1080/08927022.2017.1383990
Abstract: Abstract The total interaction energies for a large number of water proton configurations in the unit cell of hydrate structure I consisting of 46 molecules are compared for qualitatively different water models, such as SPC/E,… read more here.
Keywords: proton configurations; water proton; water; energetics water ... See more keywords