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Non-covalent interaction with two density functional tight binding methods. (a) Second virial coefficients (B2) for several small molecules, in comparison with CHARMM-CGenFF56 and experimental results; (b) 2,3-body interactions of water in comparison with the BSSE corrected CCSD(T)/aug-cc-pVTZ database of Paesani and co-workers.54 For additional results, see Supporting Information.
