Phys. Chem. Chem. Phys.
 2023
DOI: 10.1039/d3cp04420c
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Fullerenes containing water molecules: a study of reactive molecular dynamics simulations

Masumeh Foroutan,
Ahmad Boudaghi,
Mahtab Alibalazadeh

Abstract: The dipole moment of a water molecule and its direction in the H2O@C60 complex on the gold surface via ReaxFF MD simulations.

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