ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase

The ONIOM-BSSE scheme applied for the H⋯π systems of ethanol-ethylene complex and its application on HIV-1 RT/nevirapine, the results derived from this study suggest that the ONIOM-BSSE scheme provides reasonable results for investigating the H⋯π systems.