"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."

g value