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