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The HOMO (purple surface; electron density = 0.003 e/Å3) of two α-helices composed of nine glycine residues each. (Upper) When the gap is empty, the HOMO is almost confined to the left-hand helix. (Lower) When a xenon atom is present between the helices, the HOMO spreads from one helix to the other through the xenon atom. Orbital volume on the right-hand helix increases 3.9-fold from 15.3 to 60 Å3.
