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"This accepted author manuscript is copyrighted and published by Elsevier. It is posted here
by agreement between Elsevier and MTA. The definitive version of the text was subsequently
published in [JOURNAL OF MOLECULAR STRUCTURE 1060:142-149 (2014)
DOI 10.1016/j.molstruc.2013.12.025]. Available under license CC-BY-NC-ND."
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