Medium range interactions evidences in compounds with aliphatic lateral chain: 1-pentanoic acid, 1-pentanol and pentylammonium nitrate as test cases
Chemical Physics Letters(2019)
摘要
•SAXS patterns of three different compounds are reported for the first time.•The patterns show the presence of prepeaks in these kinds of systems.•Experimental data are successfully reproduced with polarizable molecular dynamics.•It was possible to dissect the different contributions to the total SAXS patterns.
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关键词
SAXS,RDFs,Pre-Peak,I(Q),Polarizable
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