(untitled) - Arunan, E; Desiraju, G R; Klein, R A; Sadlej, J; Scheiner, S; Alkorta, I; Clary, D C; Crabtree, R H; Dannenber, J J; Hobza, P; Kjaergaard, H G; Legon, A C; Mennucci, B; Nesbitt, D J (Pure Appl. Chem., 2011)