A detailed hydrogen bonding analysis on the compositions of H 2 SO 4 /HNO 3 /H 2 O ternary systems: A computational study

Benchmark computational investigations for the basic model of the salt–water complex: NaCl(H2O) and its anion NaCl(H2O)−

“…The sign( λ 2) ρ values close to zero denote van der Waals interactions, which are reflected as green volume. 88…”

“…17 zero denote van der Waals interactions, which are reflected as green volume. 88 For isomers A and B, the combination of the dg inter isosurface with the relational graphs of dg inter versus sign(l2)r is shown in Fig. 6, depicting the nature of intermolecular hydrogen bonding and van der Waals interactions.…”