Color online. Several setups have been tested where some of the interaction potentials (8), (9), (10), and (11) are omitted. BADLJ: Vb, Van, Vrb, and Vnb are considered. BAD: Vb, Van, Vrb are considered. BA: Vb and Van are considered. Bw denotes that Vb is computed with a smaller force constant = 42000 kJ·mol-1·nm-2 according to .
Chiavazzo and Asinari Nanoscale Research Letters 2011 6:249 doi:10.1186/1556-276X-6-249