Articles with "heteronuclear lennard" as a keyword



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Sigma enlarging bridge function for heteronuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent in terms of the parameter transferability

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Published in 2020 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2020.137777

Abstract: Abstract We extend the sigma enlarging bridge (SEB) function proposed previously [T. Miyata et al., AIP. Adv. 9, 025310 (2019)] to a heteronuclear Lennard-Jones (LJ) diatomic solute molecule solvated in an LJ monatomic solvent, so… read more here.

Keywords: sigma enlarging; heteronuclear lennard; solute; lennard jones ... See more keywords