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In addition to a peak at 0.62 Å-1 from the intermediate range order, they reported a more intense peak at 1.7 Å-1, then a smaller peak at 2.6 Å-1, followed by oscillations for the extent of their q range to 18 Å-1. The peaks within the radial distribution functions for the X-ray scattering and molecular dynamic simulations were assigned to intramolecular bonding and nonbonding atom-atom correlations. An ab initio molecular dynamics simulation of methylammonium nitrate(MAN) showed that there was a hydrogen-bonded network present, but no nanoscale segregation.

[ Last edited by zhulty on 2012-4-7 at 09:46 ]

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