Abstract
The zero-flux surface criterion for partitioning the total molecular electron density is used to calculate distributed multipole moments for small molecules. Considering only classical electrostatic forces, these moments are successfully used to predict conformations of hydrogen-bonded van der Waals complexes involving hydrogen fluoride. We caution that the choice of moments is far from unique. In this simple model it is the most favourable electrostatic interaction between the monomers that determines the shape of the complexes; provided the fields are well represented, the origin and position of the multipoles are largely unimportant.
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