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Modelling of potentials for interparticle interactions between methanol molecules
2017
Condensed Matter Physics
Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces. It is supposed that H-bond is of electrostatic nature (the irreducible contribution caused by overlapping of electronic shells is unessential). The dispersive interaction is approximated with London's formula, the electrostatic interaction is modelled by a multipole expansion up to
doi:10.5488/cmp.20.43301
fatcat:u65w443hqbecdfbx5bnmrg35hy