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Publication
Journal of Physics B: Atomic and Molecular Physics
Paper
Hydrogen bonding and the Compton profile of water
Abstract
The effect of the hydrogen bond interaction on the Compton profile for water is estimated by observing the consistent trend in the water polymer (monomer, dimer, trimer, tetramer and pentamer) profiles obtained from various quality wavefunctions. The profile of the isolated water molecule is found to be lowered by hydrogen bonding.