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    (Perhaps a little niche but there's no harm in asking)

    If you've a molecule with a conformation-dependent dipole, taking 1,2-dichloroethane as an example, the dihedral angle distribution in the liquid phase will more favour the synperiplanar conformation, relative to in the gas phase, yes?

    If so; is the only acceptable way of computationally accounting for this in the force field to modify the constant representing the electrical permittivity?
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    (Original post by Infraspecies)
    (Perhaps a little niche but there's no harm in asking)

    If you've a molecule with a conformation-dependent dipole, taking 1,2-dichloroethane as an example, the dihedral angle distribution in the liquid phase will more favour the synperiplanar conformation, relative to in the gas phase, yes?

    If so; is the only acceptable way of computationally accounting for this in the force field to modify the constant representing the electrical permittivity?
    Yeah this is gonna be a bit niche!

    Can answer the first bit though! Gonna be solvent dependent, but will generally have a preference for syn-periplanar over gas phase
 
 
 

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