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. Author manuscript; available in PMC: 2012 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2011 Mar 8;7(3):625–632. doi: 10.1021/ct100641a

FIG. 6.

FIG. 6

S4N4 main conformations a) Boat conformation b) Cage conformation. The boat conformation is more stable due to the bridging S-S bond. NCI surfaces correspond to s = 0.4 au and a colour scale of −0.05 < ρ < 0.05 au.