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Richard Bader is a scientist from McMaster University who developed a way of dividing molecules into atoms. He uses zero flux surfaces to divide atoms. (A zero flux surface is a 2-D surface on which the charge density is a minimum perpendicular to the surface). Usually in molecular systems, the charge density reaches a minimum between atoms and this is a natural place to separate atoms from each other. more info- http://theory.cm.utexas.edu/bader/

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