Flexible model of water based on the dielectric and electromagnetic spectrum properties: TIP4P/∊Flex
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DOI: 10.1016/j.molliq.2021.116770
Abstract: Abstract The Infrared Spectrum is used as an experimental data target to improved the TIP4P/ ∊ force field of water by adding harmonic potential U(r) in all bonds and harmonic potential U( θ ) in… read more here.
Keywords: water; tip4p flex; model water; model ... See more keywords