Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation,Chemistry Letters

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Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation
Chemistry Letters ( IF 1.4 ) Pub Date : 2020-11-05 , DOI: 10.1246/cl.200521
Tatsuhiko Miyata ₁ , Naoya Yabuki ₁ , Jackie Leung ₁

Affiliation

The transferability of the sigma enlarging bridge (SEB) function from Lennard-Jones (LJ) monatomic solute to LJ diatomic one is studied under the utilization of the solvent-solvent correlation func...

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